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CHEBI:200131 - Loloatin B

ChEBI IDCHEBI:200131
ChEBI NameLoloatin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC67H85N13O14
Net Charge0
Average Mass1296.494
Monoisotopic Mass1295.63389
SMILESCC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C67H85N13O14/c1-37(2)29-47-59(86)78-53(32-41-23-25-43(81)26-24-41)67(94)80-28-14-22-54(80)65(92)77-49(31-40-17-9-6-10-18-40)61(88)73-48(30-39-15-7-5-8-16-39)60(87)75-51(34-55(69)82)62(89)76-52(35-56(83)84)63(90)74-50(33-42-36-70-45-20-12-11-19-44(42)45)64(91)79-57(38(3)4)66(93)71-46(21-13-27-68)58(85)72-47/h5-12,15-20,23-26,36-38,46-54,57,70,81H,13-14,21-22,27-35,68H2,1-4H3,(H2,69,82)(H,71,93)(H,72,85)(H,73,88)(H,74,90)(H,75,87)(H,76,89)(H,77,92)(H,78,86)(H,79,91)(H,83,84)/t46-,47-,48+,49-,50-,51-,52-,53+,54-,57-/m0/s1
InChIKeyMIWBQDHORMXYDV-FLSVJYGXSA-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)
Loloatin B (CHEBI:200131) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[(3R,6S,9S,12S,15S,18S,21S,24R,27S,30S)-21-(2-amino-2-oxoethyl)-9-(3-aminopropyl)-24,27-dibenzyl-3-[(4-hydroxyphenyl)methyl]-15-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29-decaoxo-12-propan-2-yl-1,4,7,10,13,16,19,22,25,28-decazabicyclo[28.3.0]tritriacontan-18-yl]acetic acid
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