(3E)-nonenoyl-CoA(4-) (CHEBI:85655)

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CHEBI:85655 - (3E)-nonenoyl-CoA(4−)

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ChEBI ID	CHEBI:85655
ChEBI Name	(3E)-nonenoyl-CoA(4−)
Stars
ASCII Name	(3E)-nonenoyl-CoA(4-)
Definition	A trans-3-enoyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (3E)-nonenoyl-CoA major species at pH 7.3.
Last Modified	9 December 2015
Submitter	laimo
Downloads	Molfile

Formula	C30H46N7O17P3S
Net Charge	-4
Average Mass	901.719
Monoisotopic Mass	901.19057
SMILES	CCCCC/C=C/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/C30H50N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h8-9,17-19,23-25,29,40-41H,4-7,10-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/b9-8+/t19-,23-,24-,25+,29-/m1/s1
InChIKey	VCVDAYMNOMYZHZ-KZKUDURGSA-J

ChEBI Ontology

Outgoing Relation(s)
	(3E)-nonenoyl-CoA(4−) (CHEBI:85655) is a trans-3-enoyl-CoA(4−) (CHEBI:58521)
	(3E)-nonenoyl-CoA(4−) (CHEBI:85655) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
	(3E)-nonenoyl-CoA(4−) (CHEBI:85655) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
	(3E)-nonenoyl-CoA(4−) (CHEBI:85655) is conjugate base of (3E)-nonenoyl-CoA (CHEBI:85960)
Incoming Relation(s)
Incoming Relation(s)	(3E)-nonenoyl-CoA (CHEBI:85960) is conjugate acid of (3E)-nonenoyl-CoA(4−) (CHEBI:85655)

Synonyms	Source
trans-3-nonenoyl-CoA(4−)	SUBMITTER
(E)-non-3-enoyl-coenzyme A(4−)	ChEBI
(3E)-nonenoyl-coenzyme A(4−)	ChEBI
trans-3-nonenoyl-coenzyme A(4−)	ChEBI
(E)-non-3-enoyl-CoA(4−)	ChEBI

UniProt Name	Source
(3E)-nonenoyl-CoA	UniProt