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Sirohydrochlorin

MNXM863 is deprecated and here replaced by MNXM740870
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM740870Image of MNXM740870
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
formulaC42H39N4O16
charge-7
mass855.23995
referencebiggM:srch
InChIKeyKWIZRXMMFRBUML-SSNFXWCSSA-G
InChIInChI=1S/C42H46N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h13-16,23-24,44-45H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/p-7/b25-13?,29-14-,31-15-,32-16-
SMILESCC1(CC(=O)[O-])/C2=C/c3[nH]c(c(CCC(=O)[O-])c3CC(=O)[O-])C=C3N=C(/C=C4\[NH2+]/C(=C\C(=N2)C1CCC(=O)[O-])C(C)(CC(=O)[O-])C4CCC(=O)[O-])C(CC(=O)[O-])=C3CCC(=O)[O-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:srch
biggM:srch
Sirohydrochlorin
biggM:M_srch secondary/obsolete/fantasy identifier