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CHEBI:199890 - Loloatin A

ChEBI IDCHEBI:199890
ChEBI NameLoloatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC65H84N12O15
Net Charge0
Average Mass1273.456
Monoisotopic Mass1272.61791
SMILESCC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)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/C65H84N12O15/c1-36(2)29-45-57(84)75-51(33-41-21-25-43(79)26-22-41)65(92)77-28-12-18-52(77)63(90)74-47(31-39-15-9-6-10-16-39)59(86)70-46(30-38-13-7-5-8-14-38)58(85)72-49(34-53(67)80)60(87)73-50(35-54(81)82)61(88)71-48(32-40-19-23-42(78)24-20-40)62(89)76-55(37(3)4)64(91)68-44(17-11-27-66)56(83)69-45/h5-10,13-16,19-26,36-37,44-52,55,78-79H,11-12,17-18,27-35,66H2,1-4H3,(H2,67,80)(H,68,91)(H,69,83)(H,70,86)(H,71,88)(H,72,85)(H,73,87)(H,74,90)(H,75,84)(H,76,89)(H,81,82)/t44-,45-,46+,47-,48-,49-,50-,51+,52-,55-/m0/s1
InChIKeyOSZSVIMATNAOIP-AGWJQUSNSA-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 A (CHEBI:199890) 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-3,15-bis[(4-hydroxyphenyl)methyl]-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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10282515ChemSpider