3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA (CHEBI:15483)

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CHEBI:15483 - 3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA

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ChEBI ID	CHEBI:15483
ChEBI Name	3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA
Stars
Definition	The S-3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl derivative of CoA.
Secondary ChEBI IDs	CHEBI:1521, CHEBI:11810, CHEBI:11811, CHEBI:20040
Last Modified	3 August 2014
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C32H52N7O20P3S
Net Charge	0
Average Mass	979.786
Monoisotopic Mass	979.22007
SMILES	CC(C)=CCCC(O)(CC(=O)O)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/C32H52N7O20P3S/c1-18(2)6-5-8-32(47,12-21(41)42)13-22(43)63-11-10-34-20(40)7-9-35-29(46)26(45)31(3,4)15-56-62(53,54)59-61(51,52)55-14-19-25(58-60(48,49)50)24(44)30(57-19)39-17-38-23-27(33)36-16-37-28(23)39/h6,16-17,19,24-26,30,44-45,47H,5,7-15H2,1-4H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t19-,24-,25-,26+,30-,32?/m1/s1
InChIKey	ATTJZXQHBIJXLV-AWVQIHIZSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA (CHEBI:15483) has functional parent coenzyme A (CHEBI:15346)
	3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA (CHEBI:15483) is a glutaryl-CoAs (CHEBI:24333)
	3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA (CHEBI:15483) is conjugate acid of 3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA(5−) (CHEBI:57341)
Incoming Relation(s)
	3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA(5−) (CHEBI:57341) is conjugate base of 3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA (CHEBI:15483)

IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(carboxymethyl)-3-hydroxy-7-methyloct-6-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

Synonym	Source
3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA	KEGG COMPOUND

Manual Xrefs	Databases
C04675	KEGG COMPOUND