5,8,11,14-Eicosatetraynoic Acid
PubChem CID: 1780
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| Compound Synonyms | 5,8,11,14-eicosatetraynoic acid, ETYA, 1191-85-1, Eicosatetraynoic acid, icosa-5,8,11,14-tetraynoic acid, eicosatetranoic acid, Ro 3-1428, 5FEJ8J06DR, Octadehydroarachidonic acid, MLS000069514, DTXSID20152318, MFCD00036967, SMR000058640, MLS-0002886.0001, Ro 31428, ITY, 5,8,11,14 Eicosatetraynoic Acid, Opera_ID_402, Spectrum5_001952, UNII-5FEJ8J06DR, cid_1780, CBiol_001864, SCHEMBL68751, BSPBio_001449, KBioGR_000169, KBioSS_000169, BML2-F04, CHEMBL458328, GTPL2669, DTXCID4074809, BDBM31752, CHEBI:94483, KBio2_000169, KBio2_002737, KBio2_005305, KBio3_000337, KBio3_000338, Bio1_000150, Bio1_000639, Bio1_001128, Bio2_000169, Bio2_000649, HMS1361I11, HMS1791I11, HMS1989I11, HMS3402I11, HMS3649D21, 5,8,11,14-Icosatetraynoic acid, EX-A11145, HSCI1_000035, LMFA01030691, 5,8,11,14-Icosatetraynoic acid #, AKOS040733080, CCG-207933, IDI1_033919, NCGC00018135-01, NCGC00018135-02, NCGC00018135-03, NCGC00018135-04, NCGC00018135-05, NCGC00018135-06, NCGC00021784-03, NCGC00021784-04, NCGC00021784-05, DA-60405, ETYA - CAS 1191-85-1, MS-24251, HY-124108, CS-0084220, EICOSA-5,8,11,14-TETRAYNOIC ACID, NS00096692, 5,8,11,14-Eicosatetraynoic acid, >=97%, G12095, SR-01000000036, SR-01000000036-3, SR-01000000036-4, Q27077167, Icosa‐5,8,11,14‐tetraynoic acid (D3) |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 586.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O75604, Q03164, P46063, B2RXH2, Q16637, Q2Q167, Q9NUW8, Q07817, P25779, P10636, P00352, Q64346, Q962Y6, Q9F4F7, Q07820, P02791, P35236, P18054, P15428, P04406, P54132, P06746, Q92830, O15648, Q6QLK5, P63073, Q96KQ7, Q9UIF8, Q9UBT6, P08659, P53987, Q66HS9, O75496, P27695, P04608 |
| Iupac Name | icosa-5,8,11,14-tetraynoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT45, NPT47, NPT48, NPT93, NPT50, NPT51, NPT94, NPT57, NPT2570, NPT1119, NPT151, NPT58, NPT59 |
| Xlogp | 5.3 |
| Molecular Formula | C20H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MGLDCXPLYOWQRP-UHFFFAOYSA-N |
| Fcsp3 | 0.55 |
| Logs | -4.267 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.337 |
| Compound Name | 5,8,11,14-Eicosatetraynoic Acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6144419999999995 |
| Inchi | InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22) |
| Smiles | CCCCCC#CCC#CCC#CCC#CCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all