trans-2-pentadecenoyl-CoA (CHEBI:77630)

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CHEBI:77630 - trans-2-pentadecenoyl-CoA

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ChEBI ID	CHEBI:77630
ChEBI Name	trans-2-pentadecenoyl-CoA
Stars
ASCII Name	trans-2-pentadecenoyl-CoA
Definition	An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-2-pentadecenoic acid.
Last Modified	5 February 2018
Submitter	Steve
Downloads	Molfile

Formula	C36H62N7O17P3S
Net Charge	0
Average Mass	989.913
Monoisotopic Mass	989.31357
SMILES	CCCCCCCCCCCC/C=C/C(=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/C36H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h15-16,23-25,29-31,35,46-47H,4-14,17-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/b16-15+/t25-,29-,30-,31+,35-/m1/s1
InChIKey	BUFWYEICGKLDLP-OUZMRWKYSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	trans-2-pentadecenoyl-CoA (CHEBI:77630) is a trans-2-enoyl-CoA (CHEBI:50998)
	trans-2-pentadecenoyl-CoA (CHEBI:77630) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
	trans-2-pentadecenoyl-CoA (CHEBI:77630) is a long-chain fatty acyl-CoA (CHEBI:33184)
	trans-2-pentadecenoyl-CoA (CHEBI:77630) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
	trans-2-pentadecenoyl-CoA (CHEBI:77630) is conjugate acid of trans-2-pentadecenoyl-CoA(4−) (CHEBI:77545)
Incoming Relation(s)
Incoming Relation(s)	trans-2-pentadecenoyl-CoA(4−) (CHEBI:77545) is conjugate base of trans-2-pentadecenoyl-CoA (CHEBI:77630)

IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-pentadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}

Synonyms	Source
trans-pentadec-2-enoyl-CoA	ChEBI
(E)-2-pentadecenoyl-CoA	ChEBI
(E)-pentadec-2-enoyl-CoA	ChEBI