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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Ecdysone 22-phosphate
Properties
Image
Occurences in reactions
MNX_ID
MNXM737551
#reac
in my sandbox
0
in MNXref (generic)
1
in models (compartimentalized)
0
formula
C
27
H
45
O
9
P
charge
0
mass
544.28012
reference
sabiorkM:20843
InChIKey
FUMILPJJVXGPIT-CWNOQBPDSA-N
InChI
InChI=1S/C27H45O9P/c1-15(23(36-37(33,34)35)8-9-24(2,3)31)16-7-11-27(32)18-12-20(28)19-13-21(29)22(30)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19,21-23,29-32H,6-11,13-14H2,1-5H3,(H2,33,34,35)/t15-,16+,17-,19-,21+,22-,23?,25+,26+,27?/m0/s1
SMILES
C[C@H](C(CCC(C)(C)O)OP(=O)(O)O)[C@H]1CCC2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
sabiork.compound:20843
sabiorkM:20843
Ecdysone 22-phosphate
(2beta,3beta,5beta,14xi,22R)-2,3,14,25-Tetrahydroxy-6-oxocholest-7-en-22-yl dihydrogen phosphate