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CHEBI:219954 - Landornamide A

ChEBI IDCHEBI:219954
ChEBI NameLandornamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC69H103N19O18S2
Net Charge0
Average Mass1550.832
Monoisotopic Mass1549.71699
SMILESCC[C@H](C)[C@H]1NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H](NC(=O)CN)CSCC(C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N[C@H]2CSC(C)C(C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC2=O)NC(=O)CNC(=O)[C@H](C)NC1=O
InChIInChI=1S/C69H103N19O18S2/c1-8-35(4)55-67(103)77-36(5)58(94)74-28-52(92)80-48(32-107-31-47(79-50(90)26-72)65(101)84-46(63(99)86-55)25-40-27-73-42-19-13-12-18-41(40)42)64(100)82-43(20-14-22-70)59(95)75-30-53(93)81-49-33-108-38(7)57(68(104)83-44(21-15-23-71)61(97)87-56(37(6)89)69(105)106)88-66(102)54(34(2)3)85-62(98)45(24-39-16-10-9-11-17-39)78-51(91)29-76-60(49)96/h9-13,16-19,27,34-38,43-49,54-57,73,89H,8,14-15,20-26,28-33,70-72H2,1-7H3,(H,74,94)(H,75,95)(H,76,96)(H,77,103)(H,78,91)(H,79,90)(H,80,92)(H,81,93)(H,82,100)(H,83,104)(H,84,101)(H,85,98)(H,86,99)(H,87,97)(H,88,102)(H,105,106)/t35-,36-,37+,38?,43-,44-,45-,46-,47-,48?,49-,54+,55+,56-,57?/m0/s1
InChIKeyULTOBTMZTQDCLE-DYFGBKDTSA-N
Species of MetaboliteComponentSourceComments
Kamptonemaspecies PCC 6506 (ncbitaxon:272129) - PubMed (32163654)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Landornamide A (CHEBI:219954) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(2S,3R)-2-[[(2S)-5-amino-2-[[(6R,9S,15R)-15-[[2-[[(2S)-5-amino-2-[[(9S,12R,15S,18R)-18-[(2-aminoacetyl)amino]-12-[(2S)-butan-2-yl]-15-(1H-indol-3-ylmethyl)-9-methyl-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacyclononadecane-3-carbonyl]amino]pentanoyl]amino]acetyl]amino]-9-benzyl-2-methyl-5,8,11,14-tetraoxo-6-propan-2-yl-1-thia-4,7,10,13-tetrazacyclohexadecane-3-carbonyl]amino]pentanoyl]amino]-3-hydroxybutanoic acid