(R)-3-hydroxyhexacosanoyl-CoA(4-) (CHEBI:76378)

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CHEBI:76378 - (R)-3-hydroxyhexacosanoyl-CoA(4−)

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ChEBI ID	CHEBI:76378
ChEBI Name	(R)-3-hydroxyhexacosanoyl-CoA(4−)
Stars
ASCII Name	(R)-3-hydroxyhexacosanoyl-CoA(4-)
Definition	A 3-hydroxy fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (R)-3-hydroxycerotoyl-CoA; major species at pH 7.3.
Last Modified	5 February 2019
Submitter	laimo
Downloads	Molfile

Formula	C47H82N7O18P3S
Net Charge	-4
Average Mass	1158.193
Monoisotopic Mass	1157.46718
SMILES	CCCCCCCCCCCCCCCCCCCCCCC[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/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/t35-,36-,40-,41-,42+,46-/m1/s1
InChIKey	GBMJOTOUUWGTIA-CSLACTSSSA-J

ChEBI Ontology

Outgoing Relation(s)
	(R)-3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:76378) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
	(R)-3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:76378) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
	(R)-3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:76378) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
	(R)-3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:76378) is conjugate base of (R)-3-hydroxyhexacosanoyl-CoA (CHEBI:76465)
Incoming Relation(s)
Incoming Relation(s)	(R)-3-hydroxyhexacosanoyl-CoA (CHEBI:76465) is conjugate acid of (R)-3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:76378)

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

Synonyms	Source
(R)-3-hydroxycerotoyl-CoA(4−)	SUBMITTER
(R)-3-OH-C_26:0-CoA(4−)	SUBMITTER
(R)-3-hydroxycerotoyl-coenzyme A(4−)	ChEBI
(R)-3-hydroxyhexacosanoyl-coenzyme A(4−)	ChEBI

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

Manual Xrefs	Databases
CPD-14278	MetaCyc