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precorrin-8X

PropertiesImageOccurences in reactions
MNX_IDMNXM729938Image of MNXM729938
#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 4
formulaC45H53N4O14
charge-7
mass873.35967
referencechebi:58581
InChIKeyIGCZFSMEIXUSJY-FKUSVXTQSA-G
InChIInChI=1S/C45H60N4O14/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57/h21,25-27,40H,9-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/p-7/b39-22-/t21?,25-,26-,27+,40-,41-,42+,43+,44+,45+/m1/s1
SMILESCC1=C(CCC(=O)[O-])C2=N[C@@]1(C)CC1=N/C(=C(/C)C3=N[C@@](C)([C@@H]4N=C(C2C)[C@](C)(CCC(=O)[O-])[C@H]4CC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]3CCC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]1CCC(=O)[O-]
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:58581
chebi:58581
precorrin-8X
3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,17R,18R,19R)-2,7,18-tris(carboxylatomethyl)-1,2,5,7,11,12,15,17-octamethylcorrin-3,8,13,17-tetrayl]tetrapropanoate
precorrin-8X(7-)
sabiork.compound:8620
sabiorkM:8620
Precorrin 8X
Precorrin 8
seed.compound:cpd03835
seedM:cpd03835
Precorrin 8
Precorrin 8X
Precorrin-8X
pre8
precorrin-8x
CHEBI:28629
chebi:28629
precorrin-8X
(1R-(1alpha,2alpha,3beta,9beta,13alpha,17beta,18alpha,19beta))-2,13,18-tris(carboxymethyl)-4,5,6,7,8,11,12,22-octadehydro-4,5,6,9,10,11,21,22-octahydro-3,5,8,9,13,15,18,19-octamethyl-3,7,12,17-Corrintetrapropanoic acid
3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,17R,18R,19R)-2,7,18-tris(carboxymethyl)-1,2,5,7,11,12,15,17-octamethylcorrin-3,8,13,17-tetrayl]tetrapropanoic acid
Precorrin 8
Precorrin 8X
metacyc.compound:CPD-686
metacycM:CPD-686
precorrin-8x
chebi:14877
chebi:26227
chebi:8377
seedM:M_cpd03835
secondary/obsolete/fantasy identifier