CHEBI:220025 - Heptarhizin

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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 Heptarhizin
ChEBI ID CHEBI:220025
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H53N7O10
Net Charge 0
Average Mass 731.848
Monoisotopic Mass 731.38539
InChI InChI=1S/C35H53N7O10/c1-16(2)14-25(39-22(9)43)33(49)42-28-21(8)52-35(51)27(17(3)4)41-31(47)20(7)37-29(45)18(5)36-30(46)19(6)38-32(48)26(40-34(28)50)15-23-10-12-24(44)13-11-23/h10-13,16-21,25-28,44H,14-15H2,1-9H3,(H,36,46)(H,37,45)(H,38,48)(H,39,43)(H,40,50)(H,41,47)(H,42,49)/t18-,19+,20+,21+,25-,26+,27-,28-/m0/s1
InChIKey HRNMZVVUGNGSBC-GZIXTQCFSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](C)C(N[C@H](C(N[C@@H](C(N[C@H]1C(C)C)=O)C)=O)C)=O)CC2=CC=C(O)C=C2)C
Metabolite of Species Details
Rhizopus microsporus (NCBI:txid58291) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Heptarhizin (CHEBI:220025) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2S)-2-acetamido-N-[(3S,6R,9S,12R,15R,18S,19R)-15-[(4-hydroxyphenyl)methyl]-6,9,12,19-tetramethyl-2,5,8,11,14,17-hexaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-4-methylpentanamide
Manual Xref Database
78439539 ChemSpider
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