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adenosylcob(III)inamide phosphate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104880

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	8

formula

C₅₈H₈₃CoN₁₆O₁₄P

charge

-1

mass

1317.53497

reference

chebi:58502

InChIKey

MQCMBMUJJHSGIF-QMUWONGRSA-K

InChI

InChI=1S/C48H74N11O11P.C10H12N5O3.Co/c1-23(70-71(67,68)69)22-55-38(66)16-17-45(6)29(18-35(52)63)43-48(9)47(8,21-37(54)65)28(12-15-34(51)62)40(59-48)25(3)42-46(7,20-36(53)64)26(10-13-32(49)60)30(56-42)19-31-44(4,5)27(11-14-33(50)61)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43H,10-18,20-22H2,1-9H3,(H16,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-3/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;4-,6-,7-,10-;/m11./s1

SMILES

CC1=C2[N+]3=C(C=C4[N+]5=C(C(C)=C6N7[C@H]([C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])[O-])[C@]6(C)[N+](=C1[C@@H](CCC(N)=O)[C@]6(C)CC(N)=O)[Co-2]753C[C@H]1O[C@@H](n3cnc5c(N)ncnc53)[C@H](O)[C@@H]1O)[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58502 chebi:58502	adenosylcob(III)inamide phosphate adenosylcobinamide phosphate(1-)
bigg.metabolite:adocbip biggM:adocbip	Adenosyl cobinamide phosphate
hmdb:HMDB0012184	Adenosyl cobinamide phosphate (3R,4S,5S,9S,10S,15S,19R,20R,21R)-1-{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-5,10,15-tris(2-carbamoylethyl)-4,9,20-tris(carbamoylmethyl)-3,4,7,9,14,14,17,19-octamethyl-19-(2-{[(2R)-2-(phosphonooxy)propyl]carbamoyl}ethyl)-2lambda5,22,23lambda5,24lambda5-tetraaza-1-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaene-2,23,24-tris(ylium)-1,1-diuide (3R,4S,5S,9S,10S,15S,19R,20R,21R)-1-{[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-5,10,15-tris(2-carbamoylethyl)-4,9,20-tris(carbamoylmethyl)-3,4,7,9,14,14,17,19-octamethyl-19-(2-{[(2R)-2-(phosphonooxy)propyl]carbamoyl}ethyl)-2lambda5,22,23lambda5,24lambda5-tetraaza-1-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaene-2,23,24-tris(ylium)-1,1-diuide Adenosyl cobinamide phosphoric acid Adenosylcobinamide phosphoric acid
kegg.compound:C06509 keggC:C06509	Adenosyl cobinamide phosphate Adenosylcobinamide phosphate
seed.compound:cpd03919 seedM:cpd03919	Adenosyl cobinamide phosphate Adenosylcobinamide phosphate adenosyl-cobinamide phosphate adenosylcobinamide-P adocbip
sabiork.compound:1867 sabiorkM:1867	Adenosyl cobinamide phosphate AdoCbi-P
metacyc.compound:ADENOSYLCOBINAMIDE-P metacycM:ADENOSYLCOBINAMIDE-P	adenosyl-cobinamide phosphate adenosylcobinamide-P
CHEBI:2481 chebi:2481	adenosylcobinamide phosphate Adenosyl cobinamide phosphate
hmdb:HMDB12184 biggM:M_adocbip keggC:M_C06509 seedM:M_cpd03919	secondary/obsolete/fantasy identifier