LIPID MAPS

Structure Database (LMSD)

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Common Name

Halaminol B

Systematic Name

1-deoxy-dodecasphing-11-enine

Synonyms

LM ID

LMSP01080098

Formula

C₁₂H₂₅NO

Exact Mass

Calculate m/z

199.193614

Sum Composition

SPB 12:1

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Haliclona (#6057)

Demospongiae (#6042)

Antifungal alkyl amino alcohols from the tropical marine sponge Haliclona n. sp.,
J Nat Prod, 2001

Pubmed ID: 11754615

DOI: 10.1021/np010246x

String Representations

InChiKey (Click to copy)

DYBRAHBPARLKOA-NWDGAFQWSA-N

InChi (Click to copy)

InChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h3,11-12,14H,1,4-10,13H2,2H3/t11-,12+/m0/s1

SMILES (Click to copy)

C[C@H](N)[C@H](O)CCCCCCCC=C

Other Databases

PubChem CID

10013009

Calculated Physicochemical Properties

Heavy Atoms 14

Rings

Aromatic Rings

Rotatable Bonds 9

Van der Waals Molecular Volume 233.31

Topological Polar Surface Area 46.25

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 2

logP 3.18

Molar Refractivity 63.20

Admin

Created at

13th Aug 2026

Updated at