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Precorrin 3A

PropertiesImagewith InChI numberingOccurences in reactions
MNX_IDMNXM1367586 Image of MNXM1367586 Image of MNXM1367586
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
formulaC43H42N4O16
charge-8
mass870.821
referenceseedM:cpd03420
InChIKeyQNMLAUDORVFKSV-UJTZVPLDSA-F
InChIInChI=1S/C43H50N4O16/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30/h15-16,19,24-25,44,46H,4-14,17-18H2,1-3H3,(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-8/b29-15-,30-16-/t19?,24-,25-,42+,43+/m1/s1
SMILESCC1C2=N/C(=C\C3=N/C(=C\C4=C(CC(=O)[O-])C(CCC(=O)[O-])=C(CC5=C(CCC(=O)[O-])C(CC(=O)[O-])=C1N5)N4)[C@@H](CCC(=O)[O-])[C@]3(C)CC(=O)[O-])[C@@H](CCC(=O)[O-])[C@]2(C)CC(=O)[O-]
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Similar chemical compounds in external resources
IdentifierDescription
seed.compound:cpd03420
seedM:cpd03420
Precorrin 3A
Precorrin 3 A
pre3a
precorrin-3A
seedM:M_cpd03420 secondary/obsolete/fantasy identifier