(E)-2,3-didehydropristanoyl-CoA (CHEBI:63803)

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CHEBI:63803 - (E)-2,3-didehydropristanoyl-CoA

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ChEBI ID	CHEBI:63803
ChEBI Name	(E)-2,3-didehydropristanoyl-CoA
Stars
ASCII Name	(E)-2,3-didehydropristanoyl-CoA
Definition	A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-2,3-didehydropristanic acid.
Last Modified	5 February 2018
Submitter	Steve
Downloads	Molfile

Formula	C40H70N7O17P3S
Net Charge	0
Average Mass	1046.021
Monoisotopic Mass	1045.37617
SMILES	C/C(=C\CCC(C)CCCC(C)CCCC(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/C40H70N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h16,23-27,29,32-34,38,49-50H,8-15,17-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/b28-16+/t26?,27?,29-,32-,33-,34+,38-/m1/s1
InChIKey	WLOASZHRLIOYIA-TXRROMTDSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(E)-2,3-didehydropristanoyl-CoA (CHEBI:63803) is a trans-2-enoyl-CoA (CHEBI:50998)
	(E)-2,3-didehydropristanoyl-CoA (CHEBI:63803) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
	(E)-2,3-didehydropristanoyl-CoA (CHEBI:63803) is a long-chain fatty acyl-CoA (CHEBI:33184)
	(E)-2,3-didehydropristanoyl-CoA (CHEBI:63803) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
	(E)-2,3-didehydropristanoyl-CoA (CHEBI:63803) is a multi-methyl-branched fatty acyl-CoA (CHEBI:18100)
	(E)-2,3-didehydropristanoyl-CoA (CHEBI:63803) is conjugate acid of (E)-2,3-didehydropristanoyl-CoA(4−) (CHEBI:77293)
Incoming Relation(s)
Incoming Relation(s)	(E)-2,3-didehydropristanoyl-CoA(4−) (CHEBI:77293) is conjugate base of (E)-2,3-didehydropristanoyl-CoA (CHEBI:63803)

IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-((2E)-2,6,10,14-tetramethylpentadec-2-enoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)

Synonyms	Source
trans-2,3-didehydropristanoyl-CoA	ChEBI
trans-2,3-dehydropristanoyl-CoA	ChEBI
(E)-2,3-didehydropristanoyl-CoA	ChEBI