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precorrin-2

MNXM672 is deprecated and here replaced by MNXM739345
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM739345

	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	6

formula

C₄₂H₄₁N₄O₁₆

charge

-7

mass

857.2556

reference

chebi:58827

InChIKey

OQIIYZQTTMKFAU-ZNLOQLQNSA-G

InChI

InChI=1S/C42H48N4O16/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/h14-16,23-24,43-45H,3-13,17-18H2,1-2H3,(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/b29-14-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1

SMILES

C[C@@]1(CC(=O)[O-])/C2=C/c3[nH]c(c(CCC(=O)[O-])c3CC(=O)[O-])Cc3[nH]c(c(CC(=O)[O-])c3CCC(=O)[O-])/C=C3\[NH2+]/C(=C\C(=N2)[C@H]1CCC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]3CCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58827 chebi:58827	precorrin-2 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate precorrin-2 heptaanion precorrin-2(7-)
sabiork.compound:6220 sabiorkM:6220	Precorrin 2 Dihydrosirohydrochlorin
seed.compound:cpd01620 seedM:cpd01620	Precorrin 2 Dihydrosirohydrochlorin dihydrosirohydrochlorin pre2 precorrin-2
CHEBI:50602 chebi:50602	precorrin-2 15,23-Dihydrosirohydrochlorin 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid Dihydrosirohydrochlorin Precorrin 2
metacyc.compound:DIHYDROSIROHYDROCHLORIN metacycM:DIHYDROSIROHYDROCHLORIN	precorrin-2 dihydrosirohydrochlorin
chebi:14870 chebi:8370 seedM:M_cpd01620	secondary/obsolete/fantasy identifier