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Co-precorrin-5B

MNXM47439 is deprecated and here replaced by MNXM736807
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736807 Image of MNXM736807
referencechebi:60063
formulaC43H42CoN4O16
global charge-8
mol weight929.754
InChIKeyXHLLHKIBBMZXKO-NXQAVURYSA-D
InChIInChI=1S/C43H52N4O16.Co/c1-40(12-11-33(54)55)24(14-35(58)59)38-39-42(3,19-37(62)63)21(6-9-31(50)51)26(45-39)16-29-41(2,18-36(60)61)22(7-10-32(52)53)27(44-29)17-43(4)23(13-34(56)57)20(5-8-30(48)49)25(47-43)15-28(40)46-38;/h15-16,21,24H,5-14,17-19H2,1-4H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-10/b39-38-;/t21-,24+,40-,41+,42+,43+;/m1./s1
SMILESC[C@]1(CC(=O)[O-])C(CCC(=O)[O-])=C2C[C@@]3(C)C(CC(=O)[O-])=C(CCC(=O)[O-])C4=CC5=[N+]6C(=C7N8C(=CC1=[N+]2[Co-2]86N43)[C@@H](CCC(=O)[O-])[C@]7(C)CC(=O)[O-])[C@H](CC(=O)[O-])[C@@]5(C)CCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C43H52N4O16.Co/c1-40(12-11-33(54)55)24(14-35(58)59)38-39-42(3,19-37(62)63)21(6-9-31(50)51)26(45-39)16-29-41(2,18-36(60)61)22(7-10-32(52)53)27(44-29)17-43(4)23(13-34(56)57)20(5-8-30(48)49)25(47-43)15-28(40)46-38;/h15-16,21,24H,5-14,17-19H2,1-4H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/b39-38-;/t21-,24+,40-,41+,42+,43+;/m1./s1 Image of MNXM736807
SMILES (mnx)[CH3:1][C@@:40]1([CH2:12][CH2:11][C:33](=[O:54])[OH:55])[C@@H:24]([CH2:14][C:35](=[O:58])[OH:59])/[C:38]2=[C:39]3\[C@@:42]([CH3:3])([CH2:19][C:37](=[O:62])[OH:63])[C@H:21]([CH2:6][CH2:9][C:31](=[O:50])[OH:51])[C:26](=[CH:16][C:29]4=[NH+:44][C:27](=[C:22]([CH2:7][CH2:10][C:32](=[O:52])[OH:53])[C@:41]4([CH3:2])[CH2:18][C:36](=[O:60])[OH:61])[CH2:17][C@@:43]4([CH3:4])[C:23]([CH2:13][C:34](=[O:56])[OH:57])=[C:20]([CH2:5][CH2:8][C:30](=[O:48])[OH:49])[C:25](=[CH:15][C:28]1=[N:46]2)[NH:47]4)[N-:45]3.[Co+2:64]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60063
chebi:60063
XHLLHKIBBMZXKO-NXQAVURYSA-D 		Co-precorrin-5B
cobalt-precorrin-5B(8-)

kegg.compound:C16243
keggC:C16243
XHLLHKIBBMZXKO-NXQAVURYSA-L 		Cobalt-precorrin 5B

seed.compound:cpd14960
seedM:cpd14960
XHLLHKIBBMZXKO-NXQAVURYSA-F 		Cobalt-precorrin 5B
cobalt-precorrin-5B

CHEBI:52489
chebi:52489
XHLLHKIBBMZXKO-NXQAVURYSA-L 		cobalt-precorrin-5B
3,3',3'',3'''-{[(2S,3S,7S,11S,17R,18R)-2,7,12,18-tetrakis(carboxymethyl)-2,7,11,17-tetramethyl-1,19-didehydrocorrin-3,8,13,17-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt
Cobalt-precorrin 5B

keggC:M_C16243
seedM:M_cpd14960 		secondary/obsolete/fantasy identifier