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cobalt(3+); [(2S,5S)-2-ethyl-4,5-bis(oxidanyl)oxolan-3-yl] 1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl hydrogen phosphate

Systemtic Name:	cobalt(3+); [(2S,5S)-2-ethyl-4,5-bis(oxidanyl)oxolan-3-yl] 1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl hydrogen phosphate
Openeye Name:	cobaltic [(2S,5S)-2-ethyl-4,5-dihydroxy-tetrahydrofuran-3-yl] [1-methyl-2-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]ethyl] hydrogen phosphate
CAS Name:	cobalt(3+); [(2S,5S)-2-ethyl-4,5-dihydroxy-3-oxolanyl] 1-[[1-oxo-3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propyl]amino]propan-2-yl hydrogen phosphate
IUPAC Name:	cobalt(3+); [(2S,5S)-2-ethyl-4,5-dihydroxyoxolan-3-yl] 1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl hydrogen phosphate
Traditional Name:	cobaltic [(2S,5S)-2-ethyl-4,5-dihydroxy-tetrahydrofuran-3-yl] [1-methyl-2-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-keto-ethyl)-7,12,17-tris(3-amino-3-keto-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]ethyl] hydrogen phosphate
Formula:	C₅₄H₈₃CoN₁₁O₁₄P+2
MolecularWeight:	1200.209081

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(O1)O)O)OP(=O)(O)OC(C)CNC(=O)CCC2(C(C3C4(C(C(C(=N4)C(=C5C(C(C(=N5)C=C6C(C(C(=N6)C(=C2[N-]3)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C.[Co+3]

Isomeric SMILES

CC[C@H]1C(C([C@H](O1)O)O)OP(=O)(O)OC(C)CNC(=O)CC[C@@]\2([C@H](C3[C@]4([C@@]([C@@H](C(=N4)/C(=C\5/[C@@]([C@@H](C(=N5)/C=C\6/C([C@@H](C(=N6)/C(=C2\[N-]3)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C.[Co+3]

InChI

InChI=1S/C54H84N11O14P.Co/c1-11-33-45(44(73)49(74)77-33)79-80(75,76)78-25(2)24-61-41(72)18-19-51(7)31(20-38(58)69)48-54(10)53(9,23-40(60)71)30(14-17-37(57)68)43(65-54)27(4)47-52(8,22-39(59)70)28(12-15-35(55)66)32(62-47)21-34-50(5,6)29(13-16-36(56)67)42(63-34)26(3)46(51)64-48;/h21,25,28-31,33,44-45,48-49,73-74H,11-20,22-24H2,1-10H3,(H15,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,75,76);/q;+3/p-1/t25?,28-,29-,30-,31+,33+,44?,45?,48?,49+,51-,52+,53+,54+;/m1./s1

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