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geranoyl-CoA

MNXM2234 is deprecated and here replaced by MNXM1371415
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371415 Image of MNXM1371415
referencechebi:57377
formulaC31H46N7O17P3S
global charge-4
mol weight913.73
InChIKeyFWLPCGPDGSQPGT-WJGFBNMQSA-J
InChIInChI=1S/C31H50N7O17P3S/c1-18(2)7-6-8-19(3)13-22(40)59-12-11-33-21(39)9-10-34-29(43)26(42)31(4,5)15-52-58(49,50)55-57(47,48)51-14-20-25(54-56(44,45)46)24(41)30(53-20)38-17-37-23-27(32)35-16-36-28(23)38/h7,13,16-17,20,24-26,30,41-42H,6,8-12,14-15H2,1-5H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b19-13+/t20-,24-,25-,26+,30-/m1/s1
SMILESCC(C)=CCC/C(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](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C31H50N7O17P3S/c1-18(2)7-6-8-19(3)13-22(40)59-12-11-33-21(39)9-10-34-29(43)26(42)31(4,5)15-52-58(49,50)55-57(47,48)51-14-20-25(54-56(44,45)46)24(41)30(53-20)38-17-37-23-27(32)35-16-36-28(23)38/h7,13,16-17,20,24-26,30,41-42H,6,8-12,14-15H2,1-5H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/b19-13+/t20-,24-,25-,26+,30-/m1/s1 Image of MNXM1371415
SMILES (mnx)[CH3:1][C:18]([CH3:2])=[CH:7][CH2:6][CH2:8]/[C:19]([CH3:3])=[CH:13]/[C:22](=[O:40])[S:59][CH2:12][CH2:11][N:33]=[C:21]([CH2:9][CH2:10][N:34]=[C:29]([C@@H:26]([C:31]([CH3:4])([CH3:5])[CH2:15][O:52][P:58]([OH:49])(=[O:50])[O:55][P:57]([OH:47])(=[O:48])[O:51][CH2:14][C@@H:20]1[C@@H:25]([O:54][P:56]([OH:44])([OH:45])=[O:46])[C@@H:24]([OH:41])[C@H:30]([N:38]2[CH:17]=[N:37][C:23]3=[C:27]([NH2:32])[N:35]=[CH:16][N:36]=[C:28]32)[O:53]1)[OH:42])[OH:43])[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57377
chebi:57377
FWLPCGPDGSQPGT-WJGFBNMQSA-J 		geranoyl-CoA
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[((2Z)-3,7-dimethylocta-2,5-dienoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen}
Z-geranoyl-CoA(4-)
cis-geranoyl-CoA(4-)

kegg.compound:C01920
keggC:C01920
FWLPCGPDGSQPGT-WJGFBNMQSA-N 		Geranoyl-CoA
cis-Geranyl-CoA

vmhM:grnlcoa
vmhmetabolite:grnlcoa
FWLPCGPDGSQPGT-WJGFBNMQSA-N 		cis-Geranyl-CoA

CHEBI:15523
chebi:15523
FWLPCGPDGSQPGT-WJGFBNMQSA-N 		cis-geranoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[((2Z)-3,7-dimethylocta-2,5-dienoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Geranoyl-CoA
Z-geranoyl-CoA
cis-Geranyl-CoA

metacyc.compound:CPD-1827
metacycM:CPD-1827
FWLPCGPDGSQPGT-WJGFBNMQSA-J 		cis-geranyl-CoA
geranoyl-coA

chebi:14298
chebi:24222
chebi:5330
keggC:M_C01920
vmhM:M_grnlcoa 		secondary/obsolete/fantasy identifier