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CHEBI:221738 - Hypeptin

ChEBI IDCHEBI:221738
ChEBI NameHypeptin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H71N13O15
Net Charge0
Average Mass1022.128
Monoisotopic Mass1021.51926
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H]([C@@H](O)C(C)C)NC(=O)C([C@H](O)c2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N)[C@H](O)C(N)=O)[C@@H](C(N)=O)OC1=O
InChIInChI=1S/C44H71N13O15/c1-8-19(6)25-43(71)72-33(35(47)63)29(42(70)56-27(31(60)21-11-13-22(58)14-12-21)40(68)55-26(39(67)53-25)30(59)18(4)5)57-41(69)28(32(61)34(46)62)54-37(65)23(10-9-15-50-44(48)49)51-38(66)24(16-17(2)3)52-36(64)20(7)45/h11-14,17-20,23-33,58-61H,8-10,15-16,45H2,1-7H3,(H2,46,62)(H2,47,63)(H,51,66)(H,52,64)(H,53,67)(H,54,65)(H,55,68)(H,56,70)(H,57,69)(H4,48,49,50)/t19-,20-,23-,24+,25-,26+,27?,28-,29+,30-,31+,32-,33-/m0/s1
InChIKeyFZKVQDUEWNYBMS-LEGGSXHMSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (2808133)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hypeptin (CHEBI:221738) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2S,3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N'-[(3S,6R,12R,13S)-3-[(2S)-butan-2-yl]-13-carbamoyl-9-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-6-[(1S)-1-hydroxy-2-methylpropyl]-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]-2-hydroxybutanediamide
Manual XrefsDatabases
78442945ChemSpider