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CHEBI:219790 - Funisamine

ChEBI IDCHEBI:219790
ChEBI NameFunisamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H99NO18S
Net Charge0
Average Mass1178.530
Monoisotopic Mass1177.65829
SMILESCCCC(CC/C=C/C=C/C=C/C=C/C(=O)O)[C@H](O)/C(C)=C/C=C/C=C/C=C/C=C/C=C/C=C/C[C@H](OS(=O)(=O)O)C(C)C(=O)C(C)[C@@H](O)C[C@@H](O)/C=C/C[C@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)CC(O)CCCN
InChIInChI=1S/C62H99NO18S/c1-5-28-48(30-23-19-15-12-13-17-21-25-35-60(74)75)61(76)45(2)29-22-18-14-10-8-6-7-9-11-16-20-24-34-59(81-82(78,79)80)47(4)62(77)46(3)58(73)44-51(66)32-26-31-49(64)37-52(67)39-54(69)41-56(71)43-57(72)42-55(70)40-53(68)38-50(65)33-27-36-63/h6-22,24-26,29,32,35,46-59,61,64-73,76H,5,23,27-28,30-31,33-34,36-44,63H2,1-4H3,(H,74,75)(H,78,79,80)/b8-6+,9-7+,13-12+,14-10+,16-11+,19-15+,21-17+,22-18+,24-20+,32-26+,35-25+,45-29+/t46?,47?,48?,49-,50?,51-,52+,53-,54+,55+,56+,57-,58-,59-,61+/m0/s1
InChIKeyPMPYCYRZJJMQNV-VIXGWTSLSA-N
Species of MetaboliteComponentSourceComments
Streptosporangium (ncbitaxon:2000) - PubMed (30030223)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Funisamine (CHEBI:219790) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(2E,4E,6E,8E,13S,14E,16E,18E,20E,22E,24E,26E,29S,33S,35R,36E,39S,41R,43R,45R,47S,49R,51S)-56-amino-13,33,35,39,41,43,45,47,49,51,53-undecahydroxy-14,30,32-trimethyl-31-oxo-12-propyl-29-sulooxyhexapentaconta-2,4,6,8,14,16,18,20,22,24,26,36-dodecaenoic acid