Concept information
...
organooxygen compound
carbohydrates and carbohydrate derivatives
carbohydrate derivative
o-acyl carbohydrate
Preferred term
(3s)-n,3-dihydroxy-n-[3-[(2s,5s)-5-[3-[hydroxy-[(e)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C28H48N4O14
inchi
- InChI=1S/C28H48N4O14/c1-16(7-11-33)13-20(35)31(43)9-3-5-17-25(40)30-18(26(41)29-17)6-4-10-32(44)21(36)14-28(2,42)8-12-45-27-24(39)23(38)22(37)19(15-34)46-27/h13,17-19,22-24,27,33-34,37-39,42-44H,3-12,14-15H2,1-2H3,(H,29,41)(H,30,40)/b16-13+/t17-,18-,19?,22?,23?,24?,27?,28-/m0/s1
inchikey
- HEJIKSRLSZBPTF-JAOKHAKESA-N
mass
- 664.706
monoisotopicmass
- 664.31670
smiles
- O=C1N[C@H](C(=O)N[C@H]1CCCN(O)C(=O)/C=C(/CCO)/C)CCCN(O)C(=O)C[C@@](O)(CCOC2OC(C(O)C(C2O)O)CO)C
subset
- 2_STAR
synonym EXACT
- (3S)-N,3-dihydroxy-N-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:223836
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