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OPC-6-CoA

MNXM5871 is deprecated and here replaced by MNXM738499
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM738499 Image of MNXM738499
referencechebi:138431
formulaC37H56N7O18P3S
global charge-4
mol weight1011.875
InChIKeyVWFUYQVGVAEVNH-WZGLBKMISA-J
InChIInChI=1S/C37H60N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,21-24,26,30-32,36,48-49H,4,6,8-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b7-5-/t23-,24-,26+,30+,31+,32-,36+/m0/s1
SMILESCC/C=C\C[C@@H]1C(=O)CC[C@@H]1CCCCCC(=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/C37H60N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,21-24,26,30-32,36,48-49H,4,6,8-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b7-5-/t23-,24-,26+,30+,31+,32-,36+/m0/s1 Image of MNXM738499
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH:7]\[CH2:11][C@H:24]1[C@@H:23]([CH2:10][CH2:8][CH2:6][CH2:9][CH2:12][C:28](=[O:47])[S:66][CH2:18][CH2:17][N:39]=[C:27]([CH2:15][CH2:16][N:40]=[C:35]([C@@H:32]([C:37]([CH3:2])([CH3:3])[CH2:20][O:59][P:65]([OH:56])(=[O:57])[O:62][P:64]([OH:54])(=[O:55])[O:58][CH2:19][C@@H:26]2[C@@H:31]([O:61][P:63]([OH:51])([OH:52])=[O:53])[C@@H:30]([OH:48])[C@H:36]([N:44]3[CH:22]=[N:43][C:29]4=[C:33]([NH2:38])[N:41]=[CH:21][N:42]=[C:34]43)[O:60]2)[OH:49])[OH:50])[OH:46])[CH2:13][CH2:14][C:25]1=[O:45]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:138431
chebi:138431
VWFUYQVGVAEVNH-WZGLBKMISA-J 		OPC-6-CoA
(9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA(4-)
6-{(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}hexanoyl-CoA

CHEBI:139105
chebi:139105
VWFUYQVGVAEVNH-WZGLBKMISA-N 		(9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA
(9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-coenzyme A
6-{(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}hexanoyl-CoA
6-{(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}hexanoyl-coenzyme A
OPC-6-CoA
OPC-6-coenzyme A

metacyc.compound:CPD-11521
metacycM:CPD-11521
VWFUYQVGVAEVNH-WZGLBKMISA-J 		3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-hexanoyl-CoA
OPC6-CoA

SLM:000597984
slm:000597984
VWFUYQVGVAEVNH-WZGLBKMISA-J 		OPC-6-CoA

kegg.compound:C16331
keggC:C16331
VWFUYQVGVAEVNH-WZGLBKMISA-N 		OPC6-CoA

seed.compound:cpd15047
seedM:cpd15047
VWFUYQVGVAEVNH-WZGLBKMISA-J 		OPC6-CoA
3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-hexanoyl-CoA

chebi:80452
keggC:M_C16331
seedM:M_cpd15047 		secondary/obsolete/fantasy identifier