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CHEBI:213730 - Minutibetaamide L

ChEBI IDCHEBI:213730
ChEBI NameMinutibetaamide L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H100N12O16
Net Charge0
Average Mass1233.517
Monoisotopic Mass1232.73803
SMILESC/C=C1/NC(=O)[C@H](C(C)C)NC(=O)[C@H](O)[C@@H]([C@@H](C)CCCCCCCCCCC(=O)CCC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)N(C)C(=O)[C@H]([C@@H](C)OC)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C59H100N12O16/c1-12-23-37(73)25-21-19-17-15-14-16-18-20-24-34(7)47-50(77)57(84)67-45(32(3)4)54(81)63-38(13-2)52(79)66-46(33(5)6)55(82)69-48(35(8)72)56(83)64-39(27-28-42(60)74)51(78)62-31-44(76)65-49(36(9)87-11)59(86)70(10)41(30-43(61)75)58(85)71-29-22-26-40(71)53(80)68-47/h13,32-36,39-41,45-50,72,77H,12,14-31H2,1-11H3,(H2,60,74)(H2,61,75)(H,62,78)(H,63,81)(H,64,83)(H,65,76)(H,66,79)(H,67,84)(H,68,80)(H,69,82)/b38-13+/t34-,35+,36+,39-,40-,41-,45-,46-,47+,48-,49-,50+/m0/s1
InChIKeyOEHRGVTZXOKCIX-UTYYAIRYSA-N
Species of MetaboliteComponentSourceComments
Anabaena (ncbitaxon:1163) - PubMed (22980217)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Minutibetaamide L (CHEBI:213730) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(3S,6S,12S,15S,18S,21E,24S,27R,28R,31S)-3-(2-amino-2-oxoethyl)-21-ethylidene-27-hydroxy-15-[(1R)-1-hydroxyethyl]-6-[(1R)-1-methoxyethyl]-4-methyl-2,5,8,11,14,17,20,23,26,30-decaoxo-28-[(2S)-13-oxohexadecan-2-yl]-18,24-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-12-yl]propanamide