heptanoyl-CoA (CHEBI:37283)

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CHEBI:37283 - heptanoyl-CoA

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ChEBI ID	CHEBI:37283
ChEBI Name	heptanoyl-CoA
Stars
Definition	A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of heptanoic acid.
Last Modified	7 June 2024
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C28H48N7O17P3S
Net Charge	0
Average Mass	879.713
Monoisotopic Mass	879.20402
SMILES	CCCCCCC(=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/C28H48N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23+,27-/m1/s1
InChIKey	CHVYGJMBUXUTSX-SVHODSNWSA-N

Roles Classification

acyl donor Any donor that can transfer acyl groups between molecular entities.

ChEBI Ontology

Outgoing Relation(s)
	heptanoyl-CoA (CHEBI:37283) has functional parent coenzyme A (CHEBI:15346)
	heptanoyl-CoA (CHEBI:37283) has functional parent heptanoic acid (CHEBI:45571)
	heptanoyl-CoA (CHEBI:37283) is a medium-chain fatty acyl-CoA (CHEBI:61907)
	heptanoyl-CoA (CHEBI:37283) is a saturated fatty acyl-CoA (CHEBI:231546)
	heptanoyl-CoA (CHEBI:37283) is conjugate acid of heptanoyl-CoA(4−) (CHEBI:78811)
Incoming Relation(s)
	(3R)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:29004) has functional parent heptanoyl-CoA (CHEBI:37283)
	(3S)-3-isopropenyl-6-oxoheptanoyl-CoA (CHEBI:212) has functional parent heptanoyl-CoA (CHEBI:37283)
	heptanoyl-CoA(4−) (CHEBI:78811) is conjugate base of heptanoyl-CoA (CHEBI:37283)

Synonyms	Source
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(heptanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)	ChEBI
heptanoyl-CoA	ChEBI
C7:0-CoA	ChEBI
enanthyl-coenzyme A	ChEBI
enanthyl-CoA	ChEBI

Manual Xrefs	Databases
HMDB0012969	HMDB

Registry Numbers	Sources
Reaxys:9607758	Reaxys

Citations