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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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3-oxo-10(R)-hydroxy-octadeca-6E,8E,12Z-trienoyl-CoA
Properties
Image
Occurences in reactions
MNX_ID
MNXM162902
#reac
in my sandbox
0
in MNXref (generic)
2
in models (compartimentalized)
5
formula
C
39
H
58
N
7
O
19
P
3
S
charge
-4
mass
1053.2743
reference
biggM:CE5346
InChIKey
SVVDPRGQCCIAMF-SESGPPJXSA-J
InChI
InChI=1S/C39H62N7O19P3S/c1-4-5-6-7-8-11-14-26(47)15-12-9-10-13-16-27(48)21-30(50)69-20-19-41-29(49)17-18-42-37(53)34(52)39(2,3)23-62-68(59,60)65-67(57,58)61-22-28-33(64-66(54,55)56)32(51)38(63-28)46-25-45-31-35(40)43-24-44-36(31)46/h8-12,15,24-26,28,32-34,38,47,51-52H,4-7,13-14,16-23H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/p-4/b10-9+,11-8-,15-12+/t26?,28?,32?,33?,34?,38-/m0/s1
SMILES
CCCCC/C=C\CC(O)/C=C/C=C/CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1O[C@H](n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
bigg.metabolite:CE5346
biggM:CE5346
3-oxo-10(R)-hydroxy-octadeca-6E,8E,12Z-trienoyl-CoA
biggM:M_CE5346
secondary/obsolete/fantasy identifier