Concept information
Preferred term
(3' SulfO)galbeta cer (D18:1/20:0)
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C44H85NO11S
inchi
- InChI=1S/C44H85NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-54-44-42(50)43(56-57(51,52)53)41(49)39(35-46)55-44/h31,33,37-39,41-44,46-47,49-50H,3-30,32,34-36H2,1-2H3,(H,45,48)(H,51,52,53)/b33-31+/t37-,38+,39+,41-,42?,43?,44+/m0/s1
inchikey
- AURCBSWGPREGRQ-VGNRXBDKSA-N
mass
- 836.220
monoisotopicmass
- 835.58433
smiles
- S(OC1[C@@H](O)[C@H](O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)C1O)CO)(O)(=O)=O
subset
- 2_STAR
synonym EXACT
- [(2R,5S,6R)-3,5-dihydroxy-2-[(E,2S,3R)-3-hydroxy-2-(icosanoylamino)octadec-4-enoxy]-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:184397
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