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Chemistry, part 2

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Concept information

... > organooxygen compound > ester > carboxylic ester > sterol ester > cholesteryl ester > ce(lte4)
... > organooxygen compound > carbonyl compound > carboxylic ester > sterol ester > cholesteryl ester > ce(lte4)
... > 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 > sterol ester > cholesteryl ester > ce(lte4)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > sterol ester > cholesteryl ester > ce(lte4)
... > organooxygen compound > ester > steroid ester > sterol ester > cholesteryl ester > ce(lte4)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid ester > sterol ester > cholesteryl ester > ce(lte4)
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > sterol ester > cholesteryl ester > ce(lte4)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > sterol ester > cholesteryl ester > ce(lte4)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid ester > sterol ester > cholesteryl ester > ce(lte4)
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid ester > sterol ester > cholesteryl ester > ce(lte4)

Preferred term

ce(lte4)  

Type

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

Broader concept

charge

  • 0

formula

  • C50H81NO5S

inchi

  • InChI=1S/C50H81NO5S/c1-7-8-9-10-11-12-13-14-15-16-17-18-24-46(45(52)23-20-25-47(53)54)57-35-44(51)48(55)56-39-30-32-49(5)38(34-39)26-27-40-42-29-28-41(37(4)22-19-21-36(2)3)50(42,6)33-31-43(40)49/h11-12,14-18,24,26,36-37,39-46,52H,7-10,13,19-23,25,27-35,51H2,1-6H3,(H,53,54)/b12-11-,15-14-,17-16+,24-18+/t37-,39+,40+,41-,42+,43+,44+,45+,46-,49+,50-/m1/s1

inchikey

  • IFOMRXFATJOGED-RPXHORJASA-N

mass

  • 808.260

monoisotopicmass

  • 807.58355

smiles

  • S(C[C@H](N)C(O[C@@H]1CC=2[C@@]([C@@H]3[C@H]([C@H]4[C@@]([C@H](CC4)[C@@H](CCCC(C)C)C)(CC3)C)CC2)(CC1)C)=O)[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C/C/C=C/CCCCC

subset

  • 2_STAR

synonym EXACT

  • (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropyl]sulanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230220

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