trans-2-undecenoyl-CoA (CHEBI:78177)

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CHEBI:78177 - trans-2-undecenoyl-CoA

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ChEBI ID	CHEBI:78177
ChEBI Name	trans-2-undecenoyl-CoA
Stars
ASCII Name	trans-2-undecenoyl-CoA
Definition	A medium-chain unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-undecenoic acid.
Last Modified	5 February 2018
Submitter	Steve
Downloads	Molfile

Formula	C32H54N7O17P3S
Net Charge	0
Average Mass	933.805
Monoisotopic Mass	933.25097
SMILES	CCCCCCCC/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/C32H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h11-12,19-21,25-27,31,42-43H,4-10,13-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/b12-11+/t21-,25-,26-,27+,31-/m1/s1
InChIKey	CAVMKINPGRCURL-PHHHIDLGSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	trans-2-undecenoyl-CoA (CHEBI:78177) has functional parent trans-undec-2-enoic acid (CHEBI:39450)
	trans-2-undecenoyl-CoA (CHEBI:78177) is a trans-2-enoyl-CoA (CHEBI:50998)
	trans-2-undecenoyl-CoA (CHEBI:78177) is a medium-chain fatty acyl-CoA (CHEBI:61907)
	trans-2-undecenoyl-CoA (CHEBI:78177) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
	trans-2-undecenoyl-CoA (CHEBI:78177) is conjugate acid of trans-2-undecenoyl-CoA(4−) (CHEBI:77548)
Incoming Relation(s)
Incoming Relation(s)	trans-2-undecenoyl-CoA(4−) (CHEBI:77548) is conjugate base of trans-2-undecenoyl-CoA (CHEBI:78177)

IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E)-undec-2-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}

Synonyms	Source
(E)-2-undecenoyl-CoA	ChEBI
(E)-2-undecenoyl-coenzyme A	ChEBI
trans-2-undecenoyl-coenzyme A	ChEBI
2-trans-undecenoyl-CoA	MetaCyc
2E-undecenoyl-CoA	MetaCyc

Manual Xrefs	Databases
CPD-15656	MetaCyc

Registry Numbers	Sources
Reaxys:24679352	Reaxys