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CHEBI:198885 - Laxaphycin B2

ChEBI IDCHEBI:198885
ChEBI NameLaxaphycin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H114N14O18
Net Charge0
Average Mass1379.707
Monoisotopic Mass1378.84355
SMILESCCCCCCC[C@@H]1CC(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)NC(C)C(=O)N[C@H](CC(C)C)C(=O)NC(CCC(N)=O)C(=O)N(C)C([C@@H](C)CC)C(=O)N[C@H]([C@@H](O)C(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)NC(CC(C)C)C(=O)N[C@@H](C(C)O)C(=O)N1
InChIInChI=1S/C65H114N14O18/c1-16-18-19-20-21-23-39-30-45(83)73-46(33(7)8)59(91)76-49(52(84)34(9)10)61(93)68-36(12)55(87)71-41(28-31(3)4)56(88)70-40(25-26-44(66)82)64(96)78(15)51(35(11)17-2)63(95)77-50(53(85)54(67)86)62(94)75-48(38(14)81)65(97)79-27-22-24-43(79)58(90)72-42(29-32(5)6)57(89)74-47(37(13)80)60(92)69-39/h31-43,46-53,80-81,84-85H,16-30H2,1-15H3,(H2,66,82)(H2,67,86)(H,68,93)(H,69,92)(H,70,88)(H,71,87)(H,72,90)(H,73,83)(H,74,89)(H,75,94)(H,76,91)(H,77,95)/t35-,36?,37?,38+,39+,40?,41+,42?,43-,46-,47-,48-,49+,50+,51?,52-,53+/m0/s1
InChIKeyZGEFAENLWOFMKR-YZVLHJFSSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (17323939)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Laxaphycin B2 (CHEBI:198885) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-[(3S,6R,15R,21R,24S,28R,31S,37S)-6-[(1R)-2-amino-1-hydroxy-2-oxoethyl]-9-[(2S)-butan-2-yl]-28-heptyl-31-(1-hydroxyethyl)-3-[(1R)-1-hydroxyethyl]-21-[(1S)-1-hydroxy-2-methylpropyl]-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
Manual XrefsDatabases
17214505ChemSpider