CHEBI:58893 - precorrin-1(8−)

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ChEBI Name precorrin-1(8−)
ChEBI ID CHEBI:58893
ChEBI ASCII Name precorrin-1(8-)
Definition Octaanion of precorrin-1 arising from global deprotonation of the carboxy groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C41H38N4O16
Net Charge -8
Average Mass 842.75760
Monoisotopic Mass 842.23267
InChI InChI=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
InChIKey CJLVUWULFKHGFB-NZCAJUPMSA-F
SMILES C[C@]1(CC([O-])=O)[C@H](CCC([O-])=O)C2=N/C1=C\c1[nH]c(Cc3[nH]c(Cc4[nH]c(C2)c(CC([O-])=O)c4CCC([O-])=O)c(CC([O-])=O)c3CCC([O-])=O)c(CCC([O-])=O)c1CC([O-])=O
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
precorrin-1 UniProt
precorrin-1 octaanion ChEBI
Last Modified
01 May 2017