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ecdysone 22-phosphate

MNXM51779 is deprecated and here replaced by MNXM1094936
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1094936 Image of MNXM1094936
referencechebi:147380
formulaC27H43O9P
global charge-2
mol weight542.606
InChIKeyFUMILPJJVXGPIT-LAMJOLGYSA-L
InChIInChI=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)/p-2/t15-,16+,17-,19-,21+,22-,23+,25+,26+,27+/m0/s1
SMILESC[C@@H]([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)[C@@H](CCC(C)(C)O)OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1094936
SMILES (mnx)[CH3:1][C@@H:15]([C@H:16]1[CH2:7][CH2:11][C@@:27]2([OH:32])[C:18]3=[CH:12][C:20](=[O:28])[C@@H:19]4[CH2:13][C@@H:21]([OH:29])[C@@H:22]([OH:30])[CH2:14][C@:25]4([CH3:4])[C@H:17]3[CH2:6][CH2:10][C@:26]12[CH3:5])[C@@H:23]([CH2:8][CH2:9][C:24]([CH3:2])([CH3:3])[OH:31])[O:36][P:37]([OH:33])([OH:34])=[O:35]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:147380
chebi:147380
FUMILPJJVXGPIT-LAMJOLGYSA-L 		ecdysone 22-phosphate
ecdysone 22-phosphate(2-)

metacyc.compound:CPD-15594
metacycM:CPD-15594
seed.compound:cpd32772
seedM:cpd32772
FUMILPJJVXGPIT-LAMJOLGYSA-L 		ecdysone 22-phosphate

seedM:M_cpd32772 		secondary/obsolete/fantasy identifier