Feedback

precorrin-3B

Properties

Image

Occurences in reactions

MNX_ID

MNXM1291

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

formula

C₄₃H₄₄N₄O₁₇

charge

-6

mass

888.82622

reference

chebi:77870

InChIKey

KJHZYYJBHKAUHS-NXWQJPGNSA-H

InChI

InChI=1S/C43H50N4O17/c1-40(17-37(60)61)23(6-10-33(52)53)28-15-27-21(12-35(56)57)19(4-8-31(48)49)25(44-27)14-26-20(5-9-32(50)51)22(13-36(58)59)39(46-26)42(3,63)43-41(2,18-38(62)64-43)24(7-11-34(54)55)29(47-43)16-30(40)45-28/h15-16,23-24,44,46-47,63H,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)/p-6/b28-15-,29-16-/t23-,24-,40+,41+,42+,43-/m1/s1

SMILES

C[C@]1(CC([O-])=O)[C@H](CCC([O-])=O)\C2=C\c3[nH]c(Cc4[nH]c(c(CC([O-])=O)c4CCC([O-])=O)[C@](C)(O)[C@@]45N\C(=C/C1=[NH+]2)[C@@H](CCC([O-])=O)[C@]4(C)CC(=O)O5)c(CCC([O-])=O)c3CC([O-])=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77870 chebi:77870	precorrin-3B precorrin-3B(6-)
bigg.metabolite:pre3b biggM:pre3b kegg.compound:C06406 keggC:C06406	Precorrin 3B
seed.compound:cpd03833 seedM:cpd03833	Precorrin 3B pre3b precorrin-3B
metacyc.compound:CPD-643 metacycM:CPD-643	precorrin-3B
CHEBI:58522 chebi:58522	precorrin-3B(7-) 3,3',3'',3'''-(7S,8S,12S,13S,14R,15S)-2,7,12,18-tetrakis(2-carboxylatoethyl)-3,8,17-tris(carboxylatomethyl)-15-hydroxy-8,13,15-trimethyl-7,8,12,13,14,15,20,24-octahydroporphyrin-13(1),14-carbolactone
CHEBI:27711 chebi:27711	precorrin-3B 3,3',3'',3'''-(7S,8S,12S,13S,14R,15S)-2,7,12,18-tetrakis(2-carboxyethyl)-3,8,17-tris(carboxymethyl)-15-hydroxy-8,13,15-trimethyl-7,8,12,13,14,15,20,24-octahydroporphyrin-13(1),14-carbolactone Precorrin 3B
chebi:14872 chebi:26222 chebi:8372 biggM:M_pre3b keggC:M_C06406 seedM:M_cpd03833	secondary/obsolete/fantasy identifier