CHEBI:58522 - precorrin-3B(7−)

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ChEBI Name precorrin-3B(7−)
ChEBI ID CHEBI:58522
ChEBI ASCII Name precorrin-3B(7-)
Definition Heptacarboxylate anion of precorrin-3B.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB2409023, eMolecules:17665709, eMolecules:29913747, eMolecules:35779400, eMolecules:36749934, eMolecules:1937450, eMolecules:24639358
Download Molfile XML SDF
Formula C43H43N4O17
Net Charge -7
Average Mass 887.81810
Monoisotopic Mass 887.26616
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-7/b28-15-,29-16-/t23-,24-,40+,41+,42+,43-/m1/s1
InChIKey KJHZYYJBHKAUHS-NXWQJPGNSA-G
SMILES C[C@]1(O)c2[nH]c(Cc3[nH]c(\C=C4/N=C(/C=C5\N[C@]11OC(=O)C[C@@]1(C)[C@@H]5CCC([O-])=O)[C@@](C)(CC([O-])=O)[C@@H]4CCC([O-])=O)c(CC([O-])=O)c3CCC([O-])=O)c(CCC([O-])=O)c2CC([O-])=O
ChEBI Ontology
Outgoing precorrin-3B(7−) (CHEBI:58522) is a precorrin carboxylic acid anion (CHEBI:59140)
precorrin-3B(7−) (CHEBI:58522) is conjugate base of precorrin-3B (CHEBI:27711)
precorrin-3B(7−) (CHEBI:58522) is conjugate base of precorrin-3B(6−) (CHEBI:77870)
Incoming precorrin-3B (CHEBI:27711) is conjugate acid of precorrin-3B(7−) (CHEBI:58522)
precorrin-3B(6−) (CHEBI:77870) is conjugate acid of precorrin-3B(7−) (CHEBI:58522)
IUPAC Name
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-131,14-carbolactone
Last Modified
09 April 2014