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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > butyrate ester > tubulysin e
organooxygen compound > carbonyl compound > carboxylic ester > butyrate ester > tubulysin e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > butyrate ester > tubulysin e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > butyrate ester > tubulysin e
... > organooxygen compound > ester > carboxylic ester > fatty acid ester > butyrate ester > tubulysin e
... > organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > butyrate ester > tubulysin e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > butyrate ester > tubulysin e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > butyrate ester > tubulysin e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > fatty acid ester > butyrate ester > tubulysin e

Preferred term

tubulysin e  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C42H63N5O9S

inchi

  • InChI=1S/C42H63N5O9S/c1-9-16-36(49)55-25-47(41(52)37(27(5)10-2)45-39(51)33-19-14-15-20-46(33)8)34(26(3)4)23-35(56-29(7)48)40-44-32(24-57-40)38(50)43-31(21-28(6)42(53)54)22-30-17-12-11-13-18-30/h11-13,17-18,24,26-28,31,33-35,37H,9-10,14-16,19-23,25H2,1-8H3,(H,43,50)(H,45,51)(H,53,54)/t27-,28-,31+,33+,34+,35+,37-/m0/s1

inchikey

  • SEIXESXDPXDGRK-CAPJTEJHSA-N

mass

  • 814.04300

monoisotopicmass

  • 813.43465

smiles

  • CCCC(=O)OCN([C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1)C(C)C)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:80037

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