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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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3-Hydroxy-OPC6-CoA
Properties
Image
Occurences in reactions
MNX_ID
MNXM1106938
#reac
in my sandbox
0
in MNXref (generic)
2
in models (compartimentalized)
2
formula
C
37
H
60
N
7
O
19
P
3
S
charge
0
mass
1031.28775
reference
keggC:C16333
InChIKey
OMDQVIUYDJAWHX-GCCFKKQCSA-N
InChI
InChI=1S/C37H60N7O19P3S/c1-4-5-6-10-24-22(11-12-25(24)46)8-7-9-23(45)17-28(48)67-16-15-39-27(47)13-14-40-35(51)32(50)37(2,3)19-60-66(57,58)63-65(55,56)59-18-26-31(62-64(52,53)54)30(49)36(61-26)44-21-43-29-33(38)41-20-42-34(29)44/h5-6,20-24,26,30-32,36,45,49-50H,4,7-19H2,1-3H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/b6-5-/t22-,23?,24-,26+,30+,31+,32-,36+/m0/s1
SMILES
CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CCCC(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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
seed.compound:cpd15049
seedM:cpd15049
kegg.compound:C16333
keggC:C16333
3-Hydroxy-OPC6-CoA
keggC:M_C16333
seedM:M_cpd15049
secondary/obsolete/fantasy identifier