cobinic acid
Molecular Formula:
C48H66CoN5O14+
InChI: InChI=1/C48H67N5O14.Co/c1-23(54)22-49-32(55)16-17-45(6)29(18-36(62)63)43-48(9)47(8,21-38(66)67)28(12-15-35(60)61)40(53-48)25(3)42-46(7,20-37(64)65)26(10-13-33(56)57)30(50-42)19-31-44(4,5)27(11-14-34(58)59)39(51-31)24(2)41(45)52-43;/h19,23,26-29,43,54H,10-18,20-22H2,1-9H3,(H8,49,50,51,52,53,55,56,57,58,59,60,61,62,63,64,65,66,67);/q;+2/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;/m1./s1/fC48H66N5O14.Co/h49,56,58,60,62,64,66H;/q-1;m/b31-19-,41-24-,42-25-;
InChIKey: InChIKey=PEDFDUUSOKWQAH-SGACBHQPDU
SMILES: [H][C@](C)(O)CNC(=O)CC[C@]1(C)[C@@H](CC(O)=O)[C@@]2([H])N3C1=C(C)C4=[N]5C(=CC6=[N]7C(=C(C)C8=[N]([C@]2(C)[C@@](C)(CC(O)=O)[C@@H]8CCC(O)=O)[Co+]357)[C@@](C)(CC(O)=O)[C@@H]6CCC(O)=O)C(C)(C)[C@@H]4CCC(O)=O
Names:
CHEBI:33908
cobinic acid
Registries:
PubChem CID 9548592
ChEBI 33908
PubChem ID 14717802
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