CHEBI:58532 - precorrin-6Y(6−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name precorrin-6Y(6−)
ChEBI ID CHEBI:58532
ChEBI ASCII Name precorrin-6Y(6-)
Definition Hexaanion of precorrin-6Y.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C44H50N4O16
Net Charge -6
Average Mass 890.88500
Monoisotopic Mass 890.32547
InChI InChI=1S/C44H56N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h16-17,23,25,39,47-48H,6-15,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/p-6/b26-16-,27-17-/t23-,25+,39-,40-,41+,42+,43+,44+/m1/s1
InChIKey NWRSYSRVTYBWJV-WFECKALKSA-H
SMILES C[C@@]12CC3=C(CCC([O-])=O)[C@](C)(CC([O-])=O)C(/C=C4\[NH2+][C@@](C)([C@@H]5N=C(\C=C([NH2+]1)\C(CCC([O-])=O)=C2CC([O-])=O)[C@](C)(CCC([O-])=O)[C@H]5CC([O-])=O)[C@@](C)(CC([O-])=O)[C@@H]4CCC([O-])=O)=N3
ChEBI Ontology
Outgoing precorrin-6Y(6−) (CHEBI:58532) is a precorrin carboxylic acid anion (CHEBI:59140)
precorrin-6Y(6−) (CHEBI:58532) is conjugate base of precorrin-6Y (CHEBI:27858)
Incoming precorrin-6Y (CHEBI:27858) is conjugate acid of precorrin-6Y(6−) (CHEBI:58532)
Synonym Source
precorrin-6B UniProt
Last Modified
14 January 2013