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CHEBI:215547 - Laxaphycin B4

ChEBI IDCHEBI:215547
ChEBI NameLaxaphycin B4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC66H116N14O21
Net Charge0
Average Mass1441.731
Monoisotopic Mass1440.84395
SMILESCCCCCCC[C@@H]1CC(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)N[C@@H](CCO)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H]([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)N2C[C@H](O)C[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
InChIInChI=1S/C66H116N14O21/c1-15-17-18-19-20-21-37-27-44(86)73-45(31(5)6)59(94)77-49(53(88)33(9)10)61(96)70-39(24-25-81)56(91)76-48(52(87)32(7)8)62(97)71-40(22-23-43(67)85)65(100)79(14)51(34(11)16-2)64(99)78-50(54(89)55(68)90)63(98)75-47(36(13)83)66(101)80-29-38(84)28-42(80)58(93)72-41(26-30(3)4)57(92)74-46(35(12)82)60(95)69-37/h30-42,45-54,81-84,87-89H,15-29H2,1-14H3,(H2,67,85)(H2,68,90)(H,69,95)(H,70,96)(H,71,97)(H,72,93)(H,73,86)(H,74,92)(H,75,98)(H,76,91)(H,77,94)(H,78,99)/t34-,35+,36+,37+,38+,39-,40-,41+,42-,45-,46-,47-,48+,49+,50+,51-,52-,53-,54+/m0/s1
InChIKeyNNKYQEVQQULDSP-VUOJQXDJSA-N
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 B4 (CHEBI:215547) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(3S,6R,9S,12S,15R,18S,21R,24S,28R,31S,34R,37S,39R)-6-[(1R)-2-amino-1-hydroxy-2-oxoethyl]-9-[(2S)-butan-2-yl]-28-heptyl-39-hydroxy-3,31-bis[(1R)-1-hydroxyethyl]-18-(2-hydroxyethyl)-15,21-bis[(1S)-1-hydroxy-2-methylpropyl]-10-methyl-34-(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
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