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hydrogenobyrinate a,c-diamide

MNXM819831 is deprecated and replaced by MNXM726057

Properties

Image

Occurences in reactions

MNX_ID

MNXM726057

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	2

formula

C₄₅H₆₀N₆O₁₂

charge

-2

mass

876.42802

reference

chebi:77874

InChIKey

JJMDOVLPFPOLFZ-IPUCCYEASA-L

InChI

InChI=1S/C45H62N6O12/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61/h18,23-26,40,51H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-2/b27-18-,36-21-,37-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1

SMILES

C/C1=C2/[NH+]=C(/C=C3\[NH+]=C(/C(C)=C4\N[C@@](C)([C@@H]5[NH+]=C1[C@](C)(CCC(=O)[O-])[C@H]5CC(=O)[O-])[C@@](C)(CC(N)=O)[C@@H]4CCC(=O)[O-])[C@@](C)(CC(N)=O)[C@@H]3CCC(=O)[O-])C(C)(C)[C@@H]2CCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77874 chebi:77874	hydrogenobyrinate a,c-diamide hydrogenobyrinic acid a,c-diamide(2-)
sabiork.compound:8677 sabiorkM:8677	Hydrogenobyrinate a,c diamide Hydrogenobyrinate diamide Hydrogenobyrinic acid a,c diamide Hydrogenobyrinic acid a,c-diamide
CHEBI:58536 chebi:58536	hydrogenobyrinic acid a,c-diamide(4-)
CHEBI:27914 chebi:27914	hydrogenobyrinic acid a,c-diamide Hydrogenobyrinate a,c diamide Hydrogenobyrinate diamide Hydrogenobyrinic acid a,c diamide Hydrogenobyrinic acid a,c-diamide
chebi:24642 chebi:5789	secondary/obsolete/fantasy identifier