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CHEBI:213870 - Loloatin C

ChEBI IDCHEBI:213870
ChEBI NameLoloatin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC69H86N14O14
Net Charge0
Average Mass1335.531
Monoisotopic Mass1334.64479
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](Cc2cnc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C69H86N14O14/c1-37(2)28-49-61(89)81-55(30-40-22-24-43(84)25-23-40)69(97)83-27-13-21-56(83)67(95)80-51(31-41-35-72-46-18-10-8-16-44(41)46)63(91)76-50(29-39-14-6-5-7-15-39)62(90)78-53(33-57(71)85)64(92)79-54(34-58(86)87)65(93)77-52(32-42-36-73-47-19-11-9-17-45(42)47)66(94)82-59(38(3)4)68(96)74-48(20-12-26-70)60(88)75-49/h5-11,14-19,22-25,35-38,48-56,59,72-73,84H,12-13,20-21,26-34,70H2,1-4H3,(H2,71,85)(H,74,96)(H,75,88)(H,76,91)(H,77,93)(H,78,90)(H,79,92)(H,80,95)(H,81,89)(H,82,94)(H,86,87)/t48-,49-,50+,51-,52-,53-,54-,55+,56-,59-/m0/s1
InChIKeyCYMXDVUOZGHVJG-OMPQOHMDSA-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 C (CHEBI:213870) 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-benzyl-3-[(4-hydroxyphenyl)methyl]-15,27-bis(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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