Concept information
Preferred term
(13r)-glycinylcystein-s-yl-(14s)-hydroxy-(4z,7z,9e,11e,16z,19z)-docosahexaenoate(1-)
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- -1
formula
- C27H39N2O6S
inchi
- InChI=1S/C27H40N2O6S/c1-2-3-4-5-11-14-17-23(30)24(36-21-22(28)27(35)29-20-26(33)34)18-15-12-9-7-6-8-10-13-16-19-25(31)32/h3-4,6-7,9-15,18,22-24,30H,2,5,8,16-17,19-21,28H2,1H3,(H,29,35)(H,31,32)(H,33,34)/p-1/b4-3-,7-6-,12-9+,13-10-,14-11-,18-15+/t22-,23-,24+/m0/s1
inchikey
- CPBQPRBQBDLLLA-VZUSUAOUSA-M
is_conjugate_base_of
mass
- 519.675
monoisotopicmass
- 519.25343
smiles
- [NH3+][C@H](C(=O)NCC(=O)[O-])CS[C@H](/C=C/C=C/C=C/C/C=C/CCC([O-])=O)[C@H](C/C=C/C/C=C/CC)O
subset
- 3_STAR
synonym EXACT
- (4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13-({(2R)-2-azaniumyl-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-14-hydroxydocosa-4,7,9,11,16,19-hexaenoate
synonym RELATED
- (13R)-S-cysteinylglycyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate
- MCTR2(1-)
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:137408
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