EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:58518 - precorrin-5(8−)

ChEBI IDCHEBI:58518
ChEBI Nameprecorrin-5(8−)
Stars
ASCII Nameprecorrin-5(8-)
DefinitionOctacarboxylate anion of precorrin-5.
Last Modified22 June 2018
DownloadsMolfile
FormulaC45H46N4O17
Net Charge-8
Average Mass914.874
Monoisotopic Mass914.29018
SMILESCC(=O)C12N/C(=C\C3=NC(=C(CCC(=O)[O-])[C@]3(C)CC(=O)[O-])C[C@]3(C)N=C(CC4=NC1=C(CC(=O)[O-])[C@@]4(C)CCC(=O)[O-])C(CCC(=O)[O-])=C3CC(=O)[O-])[C@@H](CCC(=O)[O-])[C@]2(C)CC(=O)[O-]
InChIInChI=1S/C45H54N4O17/c1-21(50)45-40-26(15-37(61)62)41(2,13-12-35(57)58)30(47-40)16-27-22(6-9-32(51)52)25(14-36(59)60)44(5,48-27)18-29-23(7-10-33(53)54)42(3,19-38(63)64)31(46-29)17-28(49-45)24(8-11-34(55)56)43(45,4)20-39(65)66/h17,24,49H,6-16,18-20H2,1-5H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)/p-8/b28-17-/t24-,41-,42+,43+,44+,45?/m1/s1
InChIKeyOUPXZNRNMLYOGK-FNFWWFRLSA-F
ChEBI Ontology
Outgoing Relation(s)
precorrin-5(8−) (CHEBI:58518) is a precorrin carboxylic acid anion (CHEBI:59140)
precorrin-5(8−) (CHEBI:58518) is conjugate base of precorrin-5 (CHEBI:27630)
precorrin-5(8−) (CHEBI:58518) is conjugate base of precorrin-5(7−) (CHEBI:77871)
Incoming Relation(s)
precorrin-5 (CHEBI:27630) is conjugate acid of precorrin-5(8−) (CHEBI:58518)
precorrin-5(7−) (CHEBI:77871) is conjugate acid of precorrin-5(8−) (CHEBI:58518)
IUPAC Name 
3,3',3'',3'''-[(2S,3S,7S,11S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxylatomethyl)-2,7,11,17-tetramethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoate