CHEBI:77870 - precorrin-3B(6−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name precorrin-3B(6−)
ChEBI ID CHEBI:77870
ChEBI ASCII Name precorrin-3B(6-)
Definition A precorrin carboxylic acid anion that is the hexaanionic form of precorrin-3B.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C43H44N4O17
Net Charge -6
Average Mass 888.82940
Monoisotopic Mass 888.27344
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
InChIKey KJHZYYJBHKAUHS-NXWQJPGNSA-H
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
ChEBI Ontology
Outgoing precorrin-3B(6−) (CHEBI:77870) is a precorrin carboxylic acid anion (CHEBI:59140)
precorrin-3B(6−) (CHEBI:77870) is conjugate acid of precorrin-3B(7−) (CHEBI:58522)
precorrin-3B(6−) (CHEBI:77870) is conjugate base of precorrin-3B (CHEBI:27711)
Incoming precorrin-3B (CHEBI:27711) is conjugate acid of precorrin-3B(6−) (CHEBI:77870)
precorrin-3B(7−) (CHEBI:58522) is conjugate base of precorrin-3B(6−) (CHEBI:77870)
Synonym Source
precorrin-3B UniProt
Last Modified
17 April 2014