CHEBI:227009 - Pterulamide I

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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 Pterulamide I
ChEBI ID CHEBI:227009
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000049833508
Download Molfile XML SDF
Formula C34H62N6O7S
Net Charge 0
Average Mass 698.970
Monoisotopic Mass 698.44007
InChI InChI=1S/C34H62N6O7S/c1-16-22(7)28(30(42)35-10)39(13)33(45)26(20(3)4)36-31(43)27(21(5)6)38(12)34(46)29(23(8)17-2)40(14)32(44)24(9)37(11)25(41)18-19-48(15)47/h18-24,26-29H,16-17H2,1-15H3,(H,35,42)(H,36,43)/b19-18+/t22-,23-,24-,26-,27-,28-,29-,48?/m0/s1
InChIKey VJHQQCCKXFLKLU-QZFMFPMKSA-N
SMILES S(=O)(/C=C/C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NC)[C@H](CC)C)C)C(C)C)C(C)C)C)[C@H](CC)C)C)C)C)C
Metabolite of Species Details
Pterulaspecies (NCBI:txid2040936) 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 Pterulamide I (CHEBI:227009) is a peptide (CHEBI:16670)
IUPAC Name
(2S,3S)-N,3-dimethyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(E)-3-methylsulinylprop-2-enoyl]amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]pentanamide
Manual Xref Database
17250095 ChemSpider
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