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I4P

Summary
Name:(1S,3R,4R,6S)-1,3,4,6-TETRAPKISPHOSPHATE
Formula:C6 H16 O18 P4
Formal charge:0
Formula weight:500.075 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1R,2R,3r,4S,5S,6s)-3,6-dihydroxycyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)]
OpenEye OEToolkits1.5.0[(1R,3S,4S,6R)-2,5-dihydroxy-3,4,6-triphosphonooxy-cyclohexyl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O
SMILES_CANONICALCACTVS3.341O[C@H]1[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
SMILESCACTVS3.341O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O
InChIInChI1.03InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4+,5-,6+
InChIKeyInChI1.03ZAWIXNGTTZTBKV-JMVOWJSSSA-N

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PDB entries from 2024-03-27

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