EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:58893 - precorrin-1(8−)

Default Structure
ChEBI IDCHEBI:58893
ChEBI Nameprecorrin-1(8−)
Stars
ASCII Nameprecorrin-1(8-)
DefinitionOctaanion of precorrin-1 arising from global deprotonation of the carboxy groups.
Last Modified1 May 2017
DownloadsMolfile
FormulaC41H38N4O16
Net Charge-8
Average Mass842.767
Monoisotopic Mass842.23267
SMILESC[C@@]1(CC(=O)[O-])/C2=C/c3nc(c(CCC(=O)[O-])c3CC(=O)[O-])Cc3nc(c(CC(=O)[O-])c3CCC(=O)[O-])Cc3nc(c(CC(=O)[O-])c3CCC(=O)[O-])CC(=N2)[C@H]1CCC(=O)[O-]
InChIInChI=1S/C41H46N4O16/c1-41(17-40(60)61)24(5-9-36(52)53)31-15-29-22(11-38(56)57)19(3-7-34(48)49)27(43-29)14-28-21(10-37(54)55)18(2-6-33(46)47)25(42-28)13-26-20(4-8-35(50)51)23(12-39(58)59)30(44-26)16-32(41)45-31/h16,24,42-44H,2-15,17H2,1H3,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/p-8/b32-16-/t24-,41+/m1/s1
InChIKeyCJLVUWULFKHGFB-NZCAJUPMSA-F
ChEBI Ontology
Outgoing Relation(s)
precorrin-1(8−) (CHEBI:58893) is a precorrin carboxylic acid anion (CHEBI:59140)
precorrin-1(8−) (CHEBI:58893) is conjugate base of precorrin-1 (CHEBI:52469)
Incoming Relation(s)
precorrin-1 (CHEBI:52469) is conjugate acid of precorrin-1(8−) (CHEBI:58893)
IUPAC Name 
3,3',3'',3'''-[(12S,13S)-3,8,13,17-tetrakis(carboxylatomethyl)-13-methyl-5,10,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate
Synonym  Source
precorrin-1 octaanionChEBI
UniProt Name  Source
precorrin-1UniProt