CHEBI:198882 - Halovir A

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 Halovir A
ChEBI ID CHEBI:198882
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H83N7O9
Net Charge 0
Average Mass 866.199
Monoisotopic Mass 865.62523
InChI InChI=1S/C45H83N7O9/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(56)51-45(8,9)44(61)52-27-33(54)26-36(52)42(59)49-35(25-30(4)5)41(58)50-39(31(6)7)43(60)48-34(22-23-37(46)55)40(57)47-32(28-53)24-29(2)3/h29-36,39,53-54H,10-28H2,1-9H3,(H2,46,55)(H,47,57)(H,48,60)(H,49,59)(H,50,58)(H,51,56)/t32-,33+,34-,35?,36-,39-/m0/s1
InChIKey GRJSOZDXIUZXEW-PFTKNCRBSA-N
SMILES O=C(N1[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)C)CCC(=O)N)C(C)C)CC(C)C)C[C@H](C1)O)C(NC(=O)CCCCCCCCCCCCC)(C)C
Metabolite of Species Details
Scytalidiumspecies (NCBI:txid1715249) 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 Halovir A (CHEBI:198882) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[[(2S)-2-[[2-[[(2S,4R)-4-hydroxy-1-[2-methyl-2-(tetradecanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pentanediamide
Manual Xref Database
78436418 ChemSpider
View more database links