Cell Culture Ontology

Last uploaded: July 23, 2014
Preferred Name

paclitaxel

ID

http://purl.obolibrary.org/obo/CHEBI_45863

alternative_term

TAXOL

5beta,20-Epoxy-1,2-alpha,4,7beta,10beta,13alpha-hexahydroxytax-11-en-9-one 4,10-diacetate 2-benzoate 13-ester with (2R,3S)-N-benzoyl-3-phenylisoserine

(2aR-(2aalpha,4beta,4abeta,6beta,9alpha(alpha R*,betaS*),11alpha,12alpha,12balpha))-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester

4alpha,10beta-bis(acetyloxy)-13alpha-[(2S,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyloxy]-1,7beta-dihydroxy-9-oxo-5beta,20-epoxytax-11-en-2alpha-yl benzoate

Paclitaxel

C47H51NO14

Taxol A

ChEMBL_definition_citation

ChEMBL:108062

ChemIDplus_definition_citation

ChemIDplus:33069-62-4

EFO_URI

http://www.ebi.ac.uk/efo/EFO_0001622

has_role

http://purl.obolibrary.org/obo/CHEBI_35610

InChI

InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1

InChIKey

InChIKey=RCINICONZNJXQF-MZXODVADSA-N

KEGG_COMPOUND_definition_citation

KEGG COMPOUND:33069-62-4

KEGG COMPOUND:C07394

KEGG_DRUG_definition_citation

KEGG DRUG:D00491

label

paclitaxel

MSH_definition_citation

MSH:D017239

NCI_Thesaurus_definition_citation

NCIt:C1411

PDBeChem_definition_citation

PDBeChem:TA1

prefixIRI

CHEBI:45863

prefLabel

paclitaxel

SMILES

[H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C

SNOMEDCT_definition_citation

SNOMEDCT:67735003

SNOMEDCT:387374002

term editor

James Malone

Class imported / merged by efoimporter

Wikipedia_definition_citation

Wikipedia:Paclitaxel

subClassOf

http://purl.obolibrary.org/obo/CHEBI_24431

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http://purl.bioontology.org/ontology/RXNORM/56946 RXNORM LOOM
http://www.drugbank.ca/drugs/DB01229 FTC LOOM
http://purl.bioontology.org/ontology/VANDF/4020736 VANDF LOOM
http://purl.bioontology.org/ontology/UATC/L01CD01 ATC LOOM
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http://purl.bioontology.org/ontology/CSP/0093-3150 CRISP LOOM
http://data.bnf.fr/ark:/12148/cb122615041 FAST-TOPICAL LOOM
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http://purl.bioontology.org/ontology/NDDF/004116 NDDF LOOM
http://purl.bioontology.org/ontology/MESH/D017239 MESH LOOM
http://purl.bioontology.org/ontology/RCD/h5B.. RCD LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148314 ODAE LOOM
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http://www.co-ode.org/ontologies/galen#Paclitaxel GALEN LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148314 NDFRT LOOM
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http://id.loc.gov/authorities/subjects/sh92003700 FAST-TOPICAL LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000039762 PDQ LOOM