CHEBI:210798 - Phallusialide D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Phallusialide D
ChEBI ID CHEBI:210798
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H44ClN3O11
Net Charge 0
Average Mass 646.130
Monoisotopic Mass 645.26644
InChI InChI=1S/C29H44ClN3O11/c1-14-19(42-27(38)18-10-17(30)13-32-18)6-9-23(40-14)43-25-15(2)41-24(12-28(25,4)31)44-26-16(3)39-22(37)11-29(26,5)33-20(34)7-8-21(35)36/h10,13-16,19,22-26,32,37H,6-9,11-12,31H2,1-5H3,(H,33,34)(H,35,36)/t14-,15+,16+,19+,22+,23+,24-,25+,26+,28-,29-/m1/s1
InChIKey QMEZOIZTECPILR-VYIWJTTISA-N
SMILES ClC1=CNC(=C1)C(=O)O[C@@H]2[C@H](O[C@@H](O[C@@H]3[C@](N)(C[C@@H](O[C@@H]4[C@](NC(=O)CCC(=O)O)(C[C@@H](O)O[C@H]4C)C)O[C@H]3C)C)CC2)C
Metabolite of Species Details
Micromonosporaspecies (NCBI:txid1876) See: PubMed
ChEBI Ontology
Outgoing Phallusialide D (CHEBI:210798) is a aminoglycoside (CHEBI:47779)
IUPAC Name
4-[[(2S,3R,4R,6S)-3-[(2R,4R,5R,6S)-4-amino-5-[(2S,5S,6R)-5-(4-chloro-1H-pyrrole-2-carbonyl)oxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-6-hydroxy-2,4-dimethyloxan-4-yl]amino]-4-oxobutanoic acid
Manual Xref Database
81360812 ChemSpider
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