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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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2,2'-dihydroxycanthaxanthin
Properties
Image
Occurences in reactions
MNX_ID
MNXM147701
#reac
in my sandbox
0
in MNXref (generic)
2
in models (compartimentalized)
0
formula
C
40
H
52
O
4
charge
0
mass
596.38656
reference
metacycM:CPD-17661
InChIKey
UWWXORBDIRGAHF-VKJKSYSSSA-N
InChI
InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)35(41)25-37(43)39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)36(42)26-38(44)40(34,9)10/h11-24,37-38,43-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t37-,38-/m0/s1
SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C[C@H](O)C2(C)C)C(C)(C)[C@@H](O)CC1=O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
metacyc.compound:CPD-17661
metacycM:CPD-17661
seed.compound:cpd33956
seedM:cpd33956
2,2'-dihydroxycanthaxanthin
seedM:M_cpd33956
secondary/obsolete/fantasy identifier