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precorrin-8X

MNXM1589 is deprecated and here replaced by MNXM729938
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM729938

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	4

formula

C₄₅H₅₃N₄O₁₄

charge

-7

mass

873.35967

reference

chebi:58581

InChIKey

IGCZFSMEIXUSJY-FKUSVXTQSA-G

InChI

InChI=1S/C45H60N4O14/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57/h21,25-27,40H,9-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-7/b39-22-/t21?,25-,26-,27+,40-,41-,42+,43+,44+,45+/m1/s1

SMILES

CC1=C(CCC(=O)[O-])C2=N[C@@]1(C)CC1=N/C(=C(/C)C3=N[C@@](C)([C@@H]4N=C(C2C)[C@](C)(CCC(=O)[O-])[C@H]4CC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]3CCC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]1CCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58581 chebi:58581	precorrin-8X 3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,17R,18R,19R)-2,7,18-tris(carboxylatomethyl)-1,2,5,7,11,12,15,17-octamethylcorrin-3,8,13,17-tetrayl]tetrapropanoate precorrin-8X(7-)
sabiork.compound:8620 sabiorkM:8620	Precorrin 8X Precorrin 8
seed.compound:cpd03835 seedM:cpd03835	Precorrin 8 Precorrin 8X Precorrin-8X pre8 precorrin-8x
CHEBI:28629 chebi:28629	precorrin-8X (1R-(1alpha,2alpha,3beta,9beta,13alpha,17beta,18alpha,19beta))-2,13,18-tris(carboxymethyl)-4,5,6,7,8,11,12,22-octadehydro-4,5,6,9,10,11,21,22-octahydro-3,5,8,9,13,15,18,19-octamethyl-3,7,12,17-Corrintetrapropanoic acid 3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,17R,18R,19R)-2,7,18-tris(carboxymethyl)-1,2,5,7,11,12,15,17-octamethylcorrin-3,8,13,17-tetrayl]tetrapropanoic acid Precorrin 8 Precorrin 8X
metacyc.compound:CPD-686 metacycM:CPD-686	precorrin-8x
chebi:14877 chebi:26227 chebi:8377 seedM:M_cpd03835	secondary/obsolete/fantasy identifier