(S)-3-Carboxy-4-hydroxyphenylglycine

PubChem CID: 5311460

Connections displayed (default: 10).

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Compound Synonyms	(S)-3-CARBOXY-4-HYDROXYPHENYLGLYCINE, 55136-48-6, (S)-3C4HPG, (S)-5-(amino(carboxy)methyl)-2-hydroxybenzoic acid, 3C4HPG, CHEMBL128772, 5-[(S)-AMINO(CARBOXY)METHYL]-2-HYDROXYBENZOIC ACID, L-(3-Carboxy-4-hydroxyphenyl)glycine, Tocris-0329, SCHEMBL12648660, HMS3411E13, HMS3675E13, BDBM50053586, 3-carboxy-4-hydroxyphenylglycine-(S), AKOS015926398, NCGC00024539-01, NCGC00024539-02, SR-01000597640, (S)-5-(amino(carboxy)methyl)-2-hydroxybenzoicacid, SR-01000597640-1, 5-((S)-Amino-carboxy-methyl)-2-hydroxy-benzoic acid, BRD-K61585876-001-01-0
Topological Polar Surface Area	121.0
Hydrogen Bond Donor Count	4.0
Heavy Atom Count	15.0
Isotope Atom Count	0.0
Molecular Complexity	267.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Uniprot Id	Q13255, Q03164, Q99714, B2RXH2, Q9NUW8, P33261, P00352, Q9F4F7, P15428, Q92830, Q13951, P49798, P27695, Q9Z1J7, n.a., P0DTD1
Iupac Name	5-[(S)-amino(carboxy)methyl]-2-hydroxybenzoic acid
Prediction Hob	1.0
Target Id	NPT1259, NPT149, NPT48, NPT50, NPT213, NPT94, NPT151
Xlogp	-1.2
Molecular Formula	C9H9NO5
Prediction Swissadme	0.0
Inchi Key	CHZBCZTXSTWCIG-ZETCQYMHSA-N
Fcsp3	0.1111111111111111
Logs	-2.492
Rotatable Bond Count	3.0
Logd	1.666
Compound Name	(S)-3-Carboxy-4-hydroxyphenylglycine
Prediction Hob Swissadme	0.0
Exact Mass	211.048
Formal Charge	0.0
Monoisotopic Mass	211.048
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	211.17
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Esol	-0.48497259999999986
Inchi	InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-6(11)5(3-4)8(12)13/h1-3,7,11H,10H2,(H,12,13)(H,14,15)/t7-/m0/s1
Smiles	C1=CC(=C(C=C1[C@@H](C(=O)O)N)C(=O)O)O
Nring	1.0
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Aloe Abyssinica (Plant) Rel Props:Reference:
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4. Outgoing r'ship FOUND_IN to/from Artemisia Afra (Plant) Rel Props:Reference:
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10. Outgoing r'ship FOUND_IN to/from Artemisia Argentea (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Artemisia Argyi (Plant) Rel Props:Reference:
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80. Outgoing r'ship FOUND_IN to/from Artemisia Schimperi (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Artemisia Schmidtiana (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Artemisia Schrenkiana (Plant) Rel Props:Reference:
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91. Outgoing r'ship FOUND_IN to/from Artemisia Umbelliformis (Plant) Rel Props:Reference:
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97. Outgoing r'ship FOUND_IN to/from Bersama Abyssinica (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Brosimum Acutifolium (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Commiphora Abyssinica (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Crambe Hispanica (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Diospyros Abyssinica (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Dovyalis Abyssinica (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Erythrina Abyssinica (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Ferula Borealis (Plant) Rel Props:Reference:
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106. Outgoing r'ship FOUND_IN to/from Hagenia Abyssinica (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Haplophyllum Acutifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
108. Outgoing r'ship FOUND_IN to/from Haplophyllum Dauricum (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Haplophyllum Ferganicum (Plant) Rel Props:Reference:
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124. Outgoing r'ship FOUND_IN to/from Heracleum Nepalense (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Heracleum Pinda (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Heracleum Pinnatum (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Heracleum Rapula (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Heracleum Rigens (Plant) Rel Props:Reference:
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130. Outgoing r'ship FOUND_IN to/from Heracleum Sphondylium (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Heracleum Sprengelianum (Plant) Rel Props:Reference:
132. Outgoing r'ship FOUND_IN to/from Heracleum Thomsoni (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Heracleum Thomsonii (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Heracleum Wallichii (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Heracleum Yungningense (Plant) Rel Props:Reference:
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137. Outgoing r'ship FOUND_IN to/from Osyris Abyssinica (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Piper Acutifolium (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Thalictrum Acutifolium (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Thryptomene Kochii (Plant) Rel Props:Reference:
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142. Outgoing r'ship FOUND_IN to/from Turraea Nilotica (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Turraea Obtusifolia (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Turraea Parvifolia (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Zanthoxylum Acutifolium (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Zanthoxylum Fagara (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Zizyphus Abyssinica (Plant) Rel Props:Reference:

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(S)-3-Carboxy-4-hydroxyphenylglycine

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Phytochemical Properties

Associated Connections 147

Plant Connections 147