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(3S)-3-hydroxydodec-cis-6-enoyl-CoA

MNXM31119 is deprecated and here replaced by MNXM733852
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM733852Image of MNXM733852
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 5
formulaC33H52N7O18P3S
charge-4
mass959.23243
referencebiggM:CE2420
InChIKeyXPCGRNRSXHPWGU-IDCSGFPPSA-J
InChIInChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h8-9,19-22,26-28,32,41,44-45H,4-7,10-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/b9-8-/t21-,22+,26-,27-,28?,32+/m0/s1
SMILESCCCCC/C=C\CC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(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
IdentifierDescription
bigg.metabolite:CE2420
biggM:CE2420 		(3S)-3-hydroxydodec-cis-6-enoyl-CoA
biggM:M_CE2420 secondary/obsolete/fantasy identifier