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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB03546
http://purl.obolibrary.org/obo/dinto_DB03546
|
|---|---|
| Preferred Name | 10-cf3c(oh)2-ddacthf |
| Synonyms |
(2R)-2-({4-[(3S)-6-[(2R,4S,5R)-2,4-diamino-6-oxo-1,3-diazinan-5-yl]-1,1,1-trifluoro-2,2-dihydroxyhexan-3-yl]phenyl}formamido)pentanedioic acid
C22H30F3N5O8
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | 10-cf3c(oh)2-ddacthf
|
|---|---|
| label | 10-cf3c(oh)2-ddacthf
|
| DBSynonym | hydrolyzed form of 10-trifluoroacetyl-5,10-dideaza-acyclic-5,6,7,8-tetrahydrofolic acid
|
| type | |
| InChIKey | InChIKey=KOLDLUFBEMUZIM-WUAYEBGVSA-N
|
| Synonym | (2R)-2-({4-[(3S)-6-[(2R,4S,5R)-2,4-diamino-6-oxo-1,3-diazinan-5-yl]-1,1,1-trifluoro-2,2-dihydroxyhexan-3-yl]phenyl}formamido)pentanedioic acid
C22H30F3N5O8
|
| xref |
PubChem Substance:46505325
PDB:KEU
PubChem Compound:46936711
|
| prefixIRI | obo2:dinto_DB03546
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| related with | |
| SMILES | N[C@@H]1N[C@H](N)[C@@H](CCC[C@@H](C2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)(O)C(F)(F)F)C(=O)N1
|
| InChI | InChI=1S/C22H30F3N5O8/c23-22(24,25)21(37,38)13(3-1-2-12-16(26)29-20(27)30-18(12)34)10-4-6-11(7-5-10)17(33)28-14(19(35)36)8-9-15(31)32/h4-7,12-14,16,20,29,37-38H,1-3,8-9,26-27H2,(H,28,33)(H,30,34)(H,31,32)(H,35,36)/t12-,13+,14-,16+,20-/m1/s1
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| subClassOf |
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