CHEBI:227001 - Lobocyclamide C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Lobocyclamide C
ChEBI ID CHEBI:227001
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C63H111N13O20
Net Charge 0
Average Mass 1370.652
Monoisotopic Mass 1369.80683
InChI InChI=1S/C63H111N13O20/c1-16-18-19-20-36-24-43(83)69-44(29(5)6)56(89)74-48(51(84)30(7)8)59(92)65-33(12)53(86)73-49(52(85)31(9)10)60(93)67-38(21-22-42(64)82)62(95)75(15)50(32(11)17-2)61(94)72-47(41(81)27-77)58(91)71-46(35(14)79)63(96)76-26-37(80)25-40(76)55(88)68-39(23-28(3)4)54(87)70-45(34(13)78)57(90)66-36/h28-41,44-52,77-81,84-85H,16-27H2,1-15H3,(H2,64,82)(H,65,92)(H,66,90)(H,67,93)(H,68,88)(H,69,83)(H,70,87)(H,71,91)(H,72,94)(H,73,86)(H,74,89)/t32?,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45-,46-,47+,48+,49+,50-,51-,52-/m0/s1
InChIKey IEELHQHOEPWJSV-XSAXUJGHSA-N
SMILES O=C1N([C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](C(N[C@@H]1CCC(=O)N)=O)[C@@H](O)C(C)C)=O)C)=O)[C@@H](O)C(C)C)=O)C(C)C)=O)CCCCC)[C@H](O)C)CC(C)C)C[C@H](C2)O)[C@H](O)C)[C@@H](O)CO)C(CC)C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Lobocyclamide C (CHEBI:227001) is a oligopeptide (CHEBI:25676)
IUPAC Name
3-[(3S,6R,9S,12R,15R,18S,21R,24S,28R,31S,34R,37S,39R)-9-butan-2-yl-6-[(1R)-1,2-dihydroxyethyl]-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-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
Manual Xref Database
78440445 ChemSpider
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