(R)-3-hydroxylauroyl-CoA(4-) (CHEBI:74276)

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CHEBI:74276 - (R)-3-hydroxylauroyl-CoA(4−)

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ChEBI ID	CHEBI:74276
ChEBI Name	(R)-3-hydroxylauroyl-CoA(4−)
Stars
ASCII Name	(R)-3-hydroxylauroyl-CoA(4-)
Definition	An (R)-3-hydroxyacyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (R)-3-hydroxylauroyl-CoA.
Last Modified	21 August 2020
Submitter	Hnin
Downloads	Molfile

Formula	C33H54N7O18P3S
Net Charge	-4
Average Mass	961.815
Monoisotopic Mass	961.24808
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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
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-/m1/s1
InChIKey	IJFLXRCJWPKGKJ-IGYWURMESA-J

ChEBI Ontology

Outgoing Relation(s)
	(R)-3-hydroxylauroyl-CoA(4−) (CHEBI:74276) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
	(R)-3-hydroxylauroyl-CoA(4−) (CHEBI:74276) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
	(R)-3-hydroxylauroyl-CoA(4−) (CHEBI:74276) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
	(R)-3-hydroxylauroyl-CoA(4−) (CHEBI:74276) is conjugate base of (R)-3-hydroxylauroyl-CoA (CHEBI:74451)
Incoming Relation(s)
Incoming Relation(s)	(R)-3-hydroxylauroyl-CoA (CHEBI:74451) is conjugate acid of (R)-3-hydroxylauroyl-CoA(4−) (CHEBI:74276)

IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxydodecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}

Synonyms	Source
(R)-3-hydroxydodecanoyl-CoA(4−)	ChEBI
(R)-3-hydroxydodecanoyl-coenzyme A(4−)	ChEBI
(R)-3-hydroxylauroyl-CoA	SUBMITTER
(R)-3-hydroxylauroyl-coenzyme A(4−)	ChEBI

UniProt Name	Source
(3R)-3-hydroxydodecanoyl-CoA	UniProt

Manual Xrefs	Databases
CPD-14918	MetaCyc