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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA
ChEBI ID CHEBI:15483
Definition The S-3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl derivative of CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11811, CHEBI:11810, CHEBI:1521, CHEBI:20040
Supplier Information
Download Molfile XML SDF
Formula C32H52N7O20P3S
Net Charge 0
Average Mass 979.77774
Monoisotopic Mass 979.22007
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
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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Xref Database
C04675 KEGG COMPOUND
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Last Modified
04 August 2014