CHEBI:62558 - (S)-3-hydroxylauroyl-CoA(4−)

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ChEBI Name (S)-3-hydroxylauroyl-CoA(4−)
ChEBI ID CHEBI:62558
ChEBI ASCII Name (S)-3-hydroxylauroyl-CoA(4-)
Definition Tetraanion of (S)-3-hydroxylauroyl-CoA arising from deprotonation of the phosphate and diphosphate functions; principal microspecies at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
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Formula C33H54N7O18P3S
Net Charge -4
Average Mass 961.80400
Monoisotopic Mass 961.246
InChI InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/t21-,22+,26+,27+,28-,32+/m0/s1
InChIKey IJFLXRCJWPKGKJ-LXIXEQKWSA-J
SMILES CCCCCCCCC[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-hydroxylauroyl-CoA(4−) (CHEBI:62558) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(S)-3-hydroxylauroyl-CoA(4−) (CHEBI:62558) is a fatty acyl-CoA(4−) (CHEBI:77636)
(S)-3-hydroxylauroyl-CoA(4−) (CHEBI:62558) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
(S)-3-hydroxylauroyl-CoA(4−) (CHEBI:62558) is conjugate base of (S)-3-hydroxylauroyl-CoA (CHEBI:27668)
Incoming (S)-3-hydroxylauroyl-CoA (CHEBI:27668) is conjugate acid of (S)-3-hydroxylauroyl-CoA(4−) (CHEBI:62558)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydodecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(3S)-hydroxydodecanoyl-CoA UniProt
(S)-3-Hydroxydodecanoyl-CoA (4-) SUBMITTER
(S)-3-hydroxydodecanoyl-CoA(4−) ChEBI
Database Link Database
CPD0-2107 MetaCyc
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Last Modified
09 December 2015