CHEBI:183128 - Anthenoside A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Anthenoside A
ChEBI ID CHEBI:183128
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H65NO9
Net Charge 0
Average Mass 679.936
Monoisotopic Mass 679.46593
InChI InChI=1S/C38H65NO9/c1-9-22(19(2)3)11-10-20(4)30-27(47-36-31(39-21(5)41)34(45)35(46-8)28(18-40)48-36)17-25-29-24(13-15-38(25,30)7)37(6)14-12-23(42)16-26(37)32(43)33(29)44/h19-20,22-24,26-28,30-36,40,42-45H,9-18H2,1-8H3,(H,39,41)/t20-,22-,23+,24+,26-,27-,28?,30+,31+,32+,33-,34?,35+,36-,37-,38+/m1/s1
InChIKey RNKLRQYEPYNQHD-NSMQWETHSA-N
SMILES O([C@H]1[C@@]([C@@]2(C(=C3[C@@]([C@@]4([C@@]([C@H](O)[C@@H]3O)(C[C@@H](O)CC4)[H])C)(CC2)[H])C1)C)([C@@H](CC[C@H](C(C)C)CC)C)[H])[C@@H]5OC([C@H](OC)C(O)[C@@H]5NC(=O)C)CO
Metabolite of Species Details
Trypanosoma brucei (NCBI:txid5691) Found in cell culture (BTO:0000214). See: MetaboLights Study
ChEBI Ontology
Outgoing Anthenoside A (CHEBI:183128) has parent hydride stigmastane (CHEBI:26773)
Anthenoside A (CHEBI:183128) is a steroid (CHEBI:35341)
IUPAC Name
N-[(2R,3S,5R)-2-[[(3S,5S,6S,7R,9R,10R,13R,16R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl]acetamide
Manual Xref Database
LMST05050021 LIPID MAPS
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