Search MNXref
 Feedback

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

PropertiesImage
MNX_IDMNXM2078 Image of MNXM2078
referencechebi:57341
formulaC32H47N7O20P3S
global charge-5
mol weight974.746
InChIKeyATTJZXQHBIJXLV-AWVQIHIZSA-I
InChIInChI=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)/p-5/t19-,24-,25-,26+,30-,32?/m1/s1
SMILESCC(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](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM2078
SMILES (mnx)[CH3:1][C:18]([CH3:2])=[CH:6][CH2:5][CH2:8][C:32]([CH2:12][C:21](=[O:41])[OH:42])([CH2:13][C:22](=[O:43])[S:63][CH2:11][CH2:10][N:34]=[C:20]([CH2:7][CH2:9][N:35]=[C:29]([C@@H:26]([C:31]([CH3:3])([CH3:4])[CH2:15][O:56][P:62]([OH:53])(=[O:54])[O:59][P:61]([OH:51])(=[O:52])[O:55][CH2:14][C@@H:19]1[C@@H:25]([O:58][P:60]([OH:48])([OH:49])=[O:50])[C@@H:24]([OH:44])[C@H:30]([N:39]2[CH:17]=[N:38][C:23]3=[C:27]([NH2:33])[N:36]=[CH:16][N:37]=[C:28]32)[O:57]1)[OH:45])[OH:46])[OH:40])[OH:47]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57341
chebi:57341
ATTJZXQHBIJXLV-AWVQIHIZSA-I 		3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(carboxylatomethyl)-3-hydroxy-7-methyloct-6-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA(5-)

kegg.compound:C04675
keggC:C04675
ATTJZXQHBIJXLV-AWVQIHIZSA-N 		3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA
3-Hydroxy-3-isohexeneylglutaryl-CoA
hmdb:HMDB0060372
ATTJZXQHBIJXLV-AWVQIHIZSA-N 		3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA
3-Hydroxy-3-isohexeneylglutaryl-CoA
3-[2-({2-[(3-{[(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-2-oxoethyl]-3-hydroxy-7-methyloct-6-enoic acid
3-[2-({2-[(3-{[(2R)-4-[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-2-oxoethyl]-3-hydroxy-7-methyloct-6-enoic acid

seed.compound:cpd02849
seedM:cpd02849
ATTJZXQHBIJXLV-AWVQIHIZSA-I 		3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA
3-Hydroxy-3-isohexeneylglutaryl-CoA
3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA
3-hydroxy-3-isohexenyl-glutaryl-CoA

vmhM:3hgcoa
vmhmetabolite:3hgcoa
ATTJZXQHBIJXLV-AWVQIHIZSA-N 		3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA
3-[2-({2-[(3-{[(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-d

CHEBI:15483
chebi:15483
ATTJZXQHBIJXLV-AWVQIHIZSA-N 		3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA
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}
3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA

lipidmaps:LMFA07050207
lipidmapsM:LMFA07050207
ATTJZXQHBIJXLV-AWVQIHIZSA-N 		3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA
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}
CoA 11:2
O3

metacyc.compound:3-HYDROXY-3-4-METHYLPENT-3-EN-1-YLG-COA
metacycM:3-HYDROXY-3-4-METHYLPENT-3-EN-1-YLG-COA
ATTJZXQHBIJXLV-AWVQIHIZSA-I 		3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA
3-hydroxy-3-isohexenyl-glutaryl-CoA

hmdb:HMDB60372
chebi:11810
chebi:11811
chebi:1521
chebi:20040
keggC:M_C04675
seedM:M_cpd02849
vmhM:M_3hgcoa 		secondary/obsolete/fantasy identifier