(5Z)-icosenoyl-CoA(4-) (CHEBI:85268)

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CHEBI:85268 - (5Z)-icosenoyl-CoA(4−)

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ChEBI ID	CHEBI:85268
ChEBI Name	(5Z)-icosenoyl-CoA(4−)
Stars
ASCII Name	(5Z)-icosenoyl-CoA(4-)
Definition	A monounsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (5Z)-icosenoyl-CoA; major species at pH 7.3.
Last Modified	24 April 2015
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C41H68N7O17P3S
Net Charge	-4
Average Mass	1056.016
Monoisotopic Mass	1055.36272
SMILES	CCCCCCCCCCCCCC/C=C\CCCC(=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/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h17-18,28-30,34-36,40,51-52H,4-16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b18-17-/t30-,34-,35-,36+,40-/m1/s1
InChIKey	BSDNSNWHAZZYHM-KMYHARBQSA-J

ChEBI Ontology

Outgoing Relation(s)
	(5Z)-icosenoyl-CoA(4−) (CHEBI:85268) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
	(5Z)-icosenoyl-CoA(4−) (CHEBI:85268) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
	(5Z)-icosenoyl-CoA(4−) (CHEBI:85268) is conjugate base of (5Z)-icosenoyl-CoA (CHEBI:85560)
Incoming Relation(s)
	(5Z)-icosenoyl-CoA (CHEBI:85560) is conjugate acid of (5Z)-icosenoyl-CoA(4−) (CHEBI:85268)

Synonyms	Source
(5Z)-eicosenoyl-CoA(4−)	ChEBI
(Z)-eicos-5-enoyl-CoA(4−)	ChEBI
(Z)-icos-5-enoyl-CoA(4−)	SUBMITTER

UniProt Name	Source
(5Z)-eicosenoyl-CoA	UniProt

Manual Xrefs	Databases
CPD-8171	MetaCyc

Citations