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trans-Geranyl-CoA

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM1378487 Image of MNXM1378487 Image of MNXM1378487
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC31H50N7O17P3S
charge0
mass917.752
referencechebi:80509
InChIKeyFWLPCGPDGSQPGT-PGPMCJKDSA-N
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)/b19-13+/t20-,24-,25-,26?,30-/m1/s1
SMILES[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]([CH: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]
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:80509
chebi:80509
kegg.compound:C16465
keggC:C16465
vmhM:tgnlcoa
vmhM:tgnlcoa
vmhmetabolite:tgnlcoa
vmhmetabolite:tgnlcoa
trans-Geranyl-CoA
keggC:M_C16465 secondary/obsolete/fantasy identifier