CHEBI:198885 - Laxaphycin B2

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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 Laxaphycin B2
ChEBI ID CHEBI:198885
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C65H114N14O18
Net Charge 0
Average Mass 1379.707
Monoisotopic Mass 1378.84355
InChI InChI=1S/C65H114N14O18/c1-16-18-19-20-21-23-39-30-45(83)73-46(33(7)8)59(91)76-49(52(84)34(9)10)61(93)68-36(12)55(87)71-41(28-31(3)4)56(88)70-40(25-26-44(66)82)64(96)78(15)51(35(11)17-2)63(95)77-50(53(85)54(67)86)62(94)75-48(38(14)81)65(97)79-27-22-24-43(79)58(90)72-42(29-32(5)6)57(89)74-47(37(13)80)60(92)69-39/h31-43,46-53,80-81,84-85H,16-30H2,1-15H3,(H2,66,82)(H2,67,86)(H,68,93)(H,69,92)(H,70,88)(H,71,87)(H,72,90)(H,73,83)(H,74,89)(H,75,94)(H,76,91)(H,77,95)/t35-,36?,37?,38+,39+,40?,41+,42?,43-,46-,47-,48-,49+,50+,51?,52-,53+/m0/s1
InChIKey ZGEFAENLWOFMKR-YZVLHJFSSA-N
SMILES O=C1N(C(C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CC(N[C@H](C(N[C@@H](C(NC(C(N[C@@H](C(NC1CCC(=O)N)=O)CC(C)C)=O)C)=O)[C@@H](O)C(C)C)=O)C(C)C)=O)CCCCCCC)C(O)C)CC(C)C)CCC2)[C@H](O)C)[C@@H](O)C(=O)N)[C@H](CC)C)C
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Laxaphycin B2 (CHEBI:198885) is a oligopeptide (CHEBI:25676)
IUPAC Name
3-[(3S,6R,15R,21R,24S,28R,31S,37S)-6-[(1R)-2-amino-1-hydroxy-2-oxoethyl]-9-[(2S)-butan-2-yl]-28-heptyl-31-(1-hydroxyethyl)-3-[(1R)-1-hydroxyethyl]-21-[(1S)-1-hydroxy-2-methylpropyl]-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-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
17214505 ChemSpider
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