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Benzylsuccinyl-CoA

MNXM2899 is deprecated and here replaced by MNXM733502
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM733502Image of MNXM733502
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC32H46N7O19P3S
charge0
mass957.1782
referencechebi:3060
InChIKeyKIRGTNPWUTXDFF-DULMRFQQSA-N
InChIInChI=1S/C32H46N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23-27(33)36-16-37-28(23)39/h3-7,16-17,19-20,24-26,30,43-44H,8-15H2,1-2H3,(H,34,40)(H,35,45)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t19-,20-,24-,25-,26?,30-/m1/s1
SMILESCC(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)C(O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(=O)O)Cc1ccccc1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:3060
chebi:3060 		Benzylsuccinyl-CoA
(R)-2-Benzylsuccinyl-CoA