EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227136 - [des-(Leu10-Gly11)]acyclolaxaphycin A

ChEBI IDCHEBI:227136
ChEBI Name[des-(Leu10-Gly11)]acyclolaxaphycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC65H109N11O15
Net Charge0
Average Mass1284.649
Monoisotopic Mass1283.81046
SMILESC/C=C(/NC(=O)[C@H](CCO)NC(=O)C[C@H](N)CCCCC)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCO)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC
InChIInChI=1S/C65H109N11O15/c1-13-18-20-25-43(66)33-53(80)68-47(26-28-77)57(82)69-46(17-5)64(89)76-36-44(79)34-52(76)61(86)70-48(27-29-78)58(83)72-51(32-42-23-21-19-22-24-42)59(84)71-50(31-38(8)9)60(85)74-55(41(12)16-4)63(88)75-54(40(11)15-3)62(87)73-49(30-37(6)7)56(81)67-35-45(65(90)91)39(10)14-2/h17,19,21-24,37-41,43-45,47-52,54-55,77-79H,13-16,18,20,25-36,66H2,1-12H3,(H,67,81)(H,68,80)(H,69,82)(H,70,86)(H,71,84)(H,72,83)(H,73,87)(H,74,85)(H,75,88)(H,90,91)/b46-17+/t39-,40-,41-,43+,44+,45+,47-,48-,49-,50+,51+,52-,54+,55-/m0/s1
InChIKeyOMMIGKCKEIRSPW-FUMFDTNBSA-N
Species of MetaboliteComponentSourceComments
Anabaena torulosa (ncbitaxon:156211) - PubMed (30929947)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[des-(Leu10-Gly11)]acyclolaxaphycin A (CHEBI:227136) is a peptide (CHEBI:16670)
IUPAC Name 
(2S,3S)-2-[[[(2S)-2-[[(2R,3S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,4R)-1-[(E)-2-[[(2S)-2-[[(3R)-3-aminooctanoyl]amino]-4-hydroxybutanoyl]amino]but-2-enoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]methyl]-3-methylpentanoic acid