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CHEBI:204609 - Lobocyclamide B

ChEBI IDCHEBI:204609
ChEBI NameLobocyclamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H115N13O20
Net Charge0
Average Mass1398.706
Monoisotopic Mass1397.83813
SMILESCCCCCCC[C@@H]1CC(=O)N[C@@H](C(C)C)C(=O)NC([C@@H](O)C(C)C)C(=O)N[C@@H](C)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(C)CC)C(=O)N[C@H]([C@@H](O)CO)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/C65H115N13O20/c1-16-18-19-20-21-22-38-26-45(85)71-46(31(5)6)58(91)76-50(53(86)32(7)8)61(94)67-35(12)55(88)75-51(54(87)33(9)10)62(95)69-40(23-24-44(66)84)64(97)77(15)52(34(11)17-2)63(96)74-49(43(83)29-79)60(93)73-48(37(14)81)65(98)78-28-39(82)27-42(78)57(90)70-41(25-30(3)4)56(89)72-47(36(13)80)59(92)68-38/h30-43,46-54,79-83,86-87H,16-29H2,1-15H3,(H2,66,84)(H,67,94)(H,68,92)(H,69,95)(H,70,90)(H,71,85)(H,72,89)(H,73,93)(H,74,96)(H,75,88)(H,76,91)/t34?,35-,36+,37+,38+,39+,40+,41+,42-,43-,46-,47-,48-,49+,50?,51+,52-,53-,54-/m0/s1
InChIKeyHUGDRGVGWFSHET-WJFFKZKPSA-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)
Lobocyclamide B (CHEBI:204609) is a oligopeptide (CHEBI:25676)
IUPAC Name 
3-[(3S,6R,9S,12R,15R,18S,24S,28R,31S,34R,37S,39R)-9-butan-2-yl-6-[(1R)-1,2-dihydroxyethyl]-28-heptyl-39-hydroxy-3,31-bis[(1R)-1-hydroxyethyl]-15,21-bis[(1S)-1-hydroxy-2-methylpropyl]-10,18-dimethyl-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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