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hydrogenobyrinate

MNXM1279 is deprecated and here replaced by MNXM727803
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM727803

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

formula

C₄₅H₅₆N₄O₁₄

charge

-4

mass

876.3815

reference

chebi:77873

InChIKey

MYMATQFDUQLSCD-IPUCCYEASA-J

InChI

InChI=1S/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,23-26,40,49H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-4/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(=O)[O-])[C@@H]4CCC(=O)[O-])[C@@](C)(CC(=O)[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:77873 chebi:77873	hydrogenobyrinate hydrogenobyrinate(4-)
sabiork.compound:8612 sabiorkM:8612	Hydrogenobyrinate Hydrogenobyrinic acid
CHEBI:58323 chebi:58323	hydrogenobyrinate(6-) hydrogenobyrinate hexaanion
CHEBI:17926 chebi:17926	hydrogenobyrinic acid Hydrogenobyrinate Hydrogenobyrinic acid Hydrogenobyrinsaeure
chebi:14415 chebi:24641 chebi:24643 chebi:41604 chebi:5788	secondary/obsolete/fantasy identifier