CHEBI:62614 - (S)-3-hydroxytetradecanoyl-CoA(4−)

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ChEBI Name (S)-3-hydroxytetradecanoyl-CoA(4−)
ChEBI ID CHEBI:62614
ChEBI ASCII Name (S)-3-hydroxytetradecanoyl-CoA(4-)
Definition An acyl-CoA(4−) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of (S)-3-hydroxytetradecanoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
Download Molfile XML SDF
Formula C35H58N7O18P3S
Net Charge -4
Average Mass 989.85700
Monoisotopic Mass 989.277
InChI InChI=1S/C35H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,43,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/t23-,24+,28+,29+,30-,34+/m0/s1
InChIKey OXBHKMHNDGRDCZ-STLSENOWSA-J
SMILES CCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing (S)-3-hydroxytetradecanoyl-CoA(4−) (CHEBI:62614) is a long-chain (3S)-hydroxy fatty acyl-CoA(4−) (CHEBI:136757)
(S)-3-hydroxytetradecanoyl-CoA(4−) (CHEBI:62614) is conjugate base of (S)-3-hydroxytetradecanoyl-CoA (CHEBI:27466)
Incoming (S)-3-hydroxytetradecanoyl-CoA (CHEBI:27466) is conjugate acid of (S)-3-hydroxytetradecanoyl-CoA(4−) (CHEBI:62614)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonym Source
(3S)-hydroxytetradecanoyl-CoA UniProt
Database Link Database
CPD0-2171 MetaCyc
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Last Modified
04 July 2017