20-hydroxyecdysone 22-phosphate

Properties Image MNX_ID MNXM1105084 reference chebi:147382 formula C27H43O10P global charge -2 mol weight 558.605 InChIKey VQMWDPXOYFYYKP-YPVLXUMRSA-L InChI InChI=1S/C27H45O10P/c1-23(2,31)9-8-22(37-38(34,35)36)26(5,32)21-7-11-27(33)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-33H,6-11,13-14H2,1-5H3,(H2,34,35,36)/p-2/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1 SMILES CC(C)(O)CC[C@@H](OP(=O)([O-])[O-])[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C MNX internals InChI (mnx) InChI=1/C27H45O10P/c1-23(2,31)9-8-22(37-38(34,35)36)26(5,32)21-7-11-27(33)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-33H,6-11,13-14H2,1-5H3,(H2,34,35,36)/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1 SMILES (mnx) [CH3:1][C:23]([CH3:2])([CH2:9][CH2:8][C@H:22]([C@@:26]([CH3:5])([C@H:21]1[CH2:7][CH2:11][C@@:27]2([OH:33])[C:16]3=[CH:12][C:18](=[O:28])[C@@H:17]4[CH2:13][C@@H:19]([OH:29])[C@@H:20]([OH:30])[CH2:14][C@:24]4([CH3:3])[C@H:15]3[CH2:6][CH2:10][C@:25]12[CH3:4])[OH:32])[O:37][P:38]([OH:34])([OH:35])=[O:36])[OH:31]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1